4-Aminosalicylic acid | 4-amino-2-hydroxybenzoic acid | 4649 | WUBBRNOQWQTFEX-UHFFFAOYSA-N | Nc1ccc(C(=O)O)c(O)c1 |
Abacavir sulfate | [(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9-purinyl]-1-cyclopent-2-enyl]methanol | 441300 | MCGSCOLBFJQGHM-SCZZXKLOSA-N | Nc1nc(NC2CC2)c2ncn(C3C=CC(CO)C3)c2n1 |
(+/-)-Ambrisentan | (2S)-2-[(4,6-dimethyl-2-pyrimidinyl)oxy]-3-methoxy-3,3-diphenylpropanoic acid | 6918493 | OUJTZYPIHDYQMC-LJQANCHMSA-N | COC(c1ccccc1)(c1ccccc1)C(Oc1nc(C)cc(C)n1)C(=O)O |
GalantamineВ·HBr | (1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol | 9651 | ASUTZQLVASHGKV-JDFRZJQESA-N | COc1ccc2c3c1OC1CC(O)C=CC31CCN(C)C2 |
Gatifloxacin | 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid | 5379 | XUBOMFCQGDBHNK-UHFFFAOYSA-N | COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 |
Gefitinib | N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(4-morpholinyl)propoxy]-4-quinazolinamine | 123631 | XGALLCVXEZPNRQ-UHFFFAOYSA-N | COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 |
Gemfibrozil | 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid | 3463 | HEMJJKBWTPKOJG-UHFFFAOYSA-N | Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1 |
7-[3-(Aminomethyl)-4-methoxyimino-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid | 7-[3-(aminomethyl)-4-methoxyimino-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid | 72938 | ZRCVYEYHRGVLOC-UHFFFAOYSA-N | CON=C1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN |
Glimepiride | 4-ethyl-3-methyl-N-[2-[4-[[[(4-methylcyclohexyl)amino]-oxomethyl]sulfamoyl]phenyl]ethyl]-5-oxo-2H-pyrrole-1-carboxamide | 3476 | WIGIZIANZCJQQY-UHFFFAOYSA-N | CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCC(C)CC3)cc2)C1=O |
Glyburide | 5-chloro-N-[2-[4-[[(cyclohexylamino)-oxomethyl]sulfamoyl]phenyl]ethyl]-2-methoxybenzamide | 3488 | ZNNLBTZKUZBEKO-UHFFFAOYSA-N | COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1 |
Granisetron?В·HCl | 1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-indazolecarboxamide | 5284566 | MFWNKCLOYSRHCJ-AGUYFDCRSA-N | CN1C2CCCC1CC(NC(=O)c1nn(C)c3ccccc13)C2 |
Guanabenz acetate | 2-[(E)-(2,6-dichlorophenyl)methylideneamino]guanidine | 5702063 | WDZVGELJXXEGPV-YIXHJXPBSA-N | NC(N)=NN=Cc1c(Cl)cccc1Cl |
Guanfacine | N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide | 3519 | INJOMKTZOLKMBF-UHFFFAOYSA-N | NC(N)=NC(=O)Cc1c(Cl)cccc1Cl |
AmilorideВ·HClВ·2H2O | 3,5-diamino-6-chloro-N-(diaminomethylidene)-2-pyrazinecarboxamide | 16231 | XSDQTOBWRPYKKA-UHFFFAOYSA-N | NC(N)=NC(=O)c1nc(Cl)c(N)nc1N |
Haloperidol | 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-1-butanone | 3559 | LNEPOXFFQSENCJ-UHFFFAOYSA-N | O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 |
Hydrochlorothiazide | 6-chloro-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide | 3639 | JZUFKLXOESDKRF-UHFFFAOYSA-N | NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O |
Hydroxychloroquine sulfate | 2-[4-[(7-chloro-4-quinolinyl)amino]pentyl-ethylamino]ethanol | 3652 | XXSMGPRMXLTPCZ-UHFFFAOYSA-N | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 |
Ibuprofen | 2-[4-(2-methylpropyl)phenyl]propanoic acid | 3672 | HEFNNWSXXWATRW-UHFFFAOYSA-N | CC(C)Cc1ccc(C(C)C(=O)O)cc1 |
ImipramineВ·HCl | 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-1-propanamine | 3696 | BCGWQEUPMDMJNV-UHFFFAOYSA-N | CN(C)CCCN1c2ccccc2CCc2ccccc21 |
Indinavir | (2S)-N-tert-butyl-1-[(2S,4R)-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxo-4-(phenylmethyl)pentyl]-4-(3-pyridinylmethyl)-2-piperazinecarboxamide | 5362440 | CBVCZFGXHXORBI-PXQQMZJSSA-N | CC(C)(C)NC(=O)C1CN(Cc2cccnc2)CCN1CC(O)CC(Cc1ccccc1)C(=O)NC1c2ccccc2CC1O |
Isocarboxazid | 5-methyl-N'-(phenylmethyl)-3-isoxazolecarbohydrazide | 3759 | XKFPYPQQHFEXRZ-UHFFFAOYSA-N | Cc1cc(C(=O)NNCc2ccccc2)no1 |
Ketoconazole | 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1-imidazolylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]ethanone | 456201 | XMAYWYJOQHXEEK-OZXSUGGESA-N | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 |
Ketoprofen | 2-(3-benzoylphenyl)propanoic acid | 3825 | DKYWVDODHFEZIM-UHFFFAOYSA-N | CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1 |
Ketotifen fumarate | 2-(1-methyl-4-piperidinylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one | 3827 | ZCVMWBYGMWKGHF-UHFFFAOYSA-N | CN1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1 |
Aminophylline | 1,3-dimethyl-7H-purine-2,6-dione;ethane-1,2-diamine | 9433 | FQPFAHBPWDRTLU-UHFFFAOYSA-N | Cn1c(=O)c2[nH]cnc2n(C)c1=O.Cn1c(=O)c2[nH]cnc2n(C)c1=O.NCCN |
Labetalol | 2-hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide | 3869 | SGUAFYQXFOLMHL-UHFFFAOYSA-N | CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1 |
Lacosamide | (2R)-2-acetamido-3-methoxy-N-(phenylmethyl)propanamide | 219078 | VPPJLAIAVCUEMN-GFCCVEGCSA-N | COCC(NC(C)=O)C(=O)NCc1ccccc1 |
Lamivudine | 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2-pyrimidinone | 60825 | JTEGQNOMFQHVDC-NKWVEPMBSA-N | Nc1ccn(C2CSC(CO)O2)c(=O)n1 |
Lapatinib Ditosylate | N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]-2-furanyl]-4-quinazolinamine | 208908 | BCFGMOOMADDAQU-UHFFFAOYSA-N | CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 |
Lenalidomide | 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione | 216326 | GOTYRUGSSMKFNF-UHFFFAOYSA-N | Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O |
Letrozole | 4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile | 3902 | HPJKCIUCZWXJDR-UHFFFAOYSA-N | N#Cc1ccc(C(c2ccc(C#N)cc2)n2cncn2)cc1 |
Levocetirizine dihydrochloride | 2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]ethoxy]acetic acid | 1549000 | ZKLPARSLTMPFCP-OAQYLSRUSA-N | O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1 |
LincomycinВ·HCl | (2S,4R)-N-[(1R,2R)-2-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylthio)-2-oxanyl]propyl]-1-methyl-4-propyl-2-pyrrolidinecarboxamide | 3000540 | OJMMVQQUTAEWLP-KIDUDLJLSA-N | CCCC1CC(C(=O)NC(C(C)O)C2OC(SC)C(O)C(O)C2O)N(C)C1 |
Linezolid | N-[[(5S)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-2-oxo-5-oxazolidinyl]methyl]acetamide | 441401 | TYZROVQLWOKYKF-ZDUSSCGKSA-N | CC(=O)NCC1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1 |
Lopinavir | (2S)-N-[(2S,4S,5S)-5-[[2-(2,6-dimethylphenoxy)-1-oxoethyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide | 92727 | KJHKTHWMRKYKJE-SUGCFTRWSA-N | Cc1cccc(C)c1OCC(=O)NC(Cc1ccccc1)C(O)CC(Cc1ccccc1)NC(=O)C(C(C)C)N1CCCNC1=O |
Amisulpride | 4-amino-N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-ethylsulfonyl-2-methoxybenzamide | 2159 | NTJOBXMMWNYJFB-UHFFFAOYSA-N | CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC |
Loratadine | 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)-1-piperidinecarboxylic acid ethyl ester | 3957 | JCCNYMKQOSZNPW-UHFFFAOYSA-N | CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 |
Loxapine succinate | 8-chloro-6-(4-methyl-1-piperazinyl)benzo[b][1,4]benzoxazepine | 3964 | XJGVXQDUIWGIRW-UHFFFAOYSA-N | CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1 |
MaprotilineВ·HCl | N-methyl-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)-1-propanamine | 4011 | QSLMDECMDJKHMQ-UHFFFAOYSA-N | CNCCCC12CCC(c3ccccc31)c1ccccc12 |
Maraviroc | 4,4-difluoro-N-[(1S)-3-[(1S,5R)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-1-cyclohexanecarboxamide | 3002977 | GSNHKUDZZFZSJB-HLMSNRGBSA-N | Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CCC(NC(=O)C1CCC(F)(F)CC1)c1ccccc1 |
Meclozine dihydrochloride | 1-[(4-chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine | 4034 | OCJYIGYOJCODJL-UHFFFAOYSA-N | Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1 |
MeclofenamateВ·Na | 2-(2,6-dichloro-3-methylanilino)benzoic acid | 4037 | SBDNJUWAMKYJOX-UHFFFAOYSA-N | Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl |
Mefenamic acid | 2-(2,3-dimethylanilino)benzoic acid | 4044 | HYYBABOKPJLUIN-UHFFFAOYSA-N | Cc1cccc(Nc2ccccc2C(=O)O)c1C |
Meloxicam | 4-hydroxy-2-methyl-N-(5-methyl-2-thiazolyl)-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxamide | 54677470 | ZRVUJXDFFKFLMG-UHFFFAOYSA-N | Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 |
Mepenzolate bromide | 2-hydroxy-2,2-diphenylacetic acid (1,1-dimethyl-3-piperidin-1-iumyl) ester | 4057 | GKNPSSNBBWDAGH-UHFFFAOYSA-N | C[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 |
Mestranol | (8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol | 6291 | IMSSROKUHAOUJS-MJCUULBUSA-N | C#CC1(O)CCC2C3CCc4cc(OC)ccc4C3CCC21C |
AmitriptylineВ·HCl | N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)-1-propanamine | 2160 | KRMDCWKBEZIMAB-UHFFFAOYSA-N | CN(C)CCC=C1c2ccccc2CCc2ccccc21 |
Metaproterenol Hemisulfate (Orciprenaline) | 5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol | 4086 | LMOINURANNBYCM-UHFFFAOYSA-N | CC(C)NCC(O)c1cc(O)cc(O)c1 |
MetforminВ·HCl | 3-(diaminomethylidene)-1,1-dimethylguanidine | 4091 | XZWYZXLIPXDOLR-UHFFFAOYSA-N | CN(C)C(=N)N=C(N)N |
Methenamine hippurate | 1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane | 4101 | VKYKSIONXSXAKP-UHFFFAOYSA-N | C1N2CN3CN1CN(C2)C3 |
Methocarbamol | carbamic acid [2-hydroxy-3-(2-methoxyphenoxy)propyl] ester | 4107 | GNXFOGHNGIVQEH-UHFFFAOYSA-N | COc1ccccc1OCC(O)COC(N)=O |
Metoclopramide | 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide | 4168 | TTWJBBZEZQICBI-UHFFFAOYSA-N | CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC |
Metolazone | 7-chloro-2-methyl-3-(2-methylphenyl)-4-oxo-1,2-dihydroquinazoline-6-sulfonamide | 4170 | AQCHWTWZEMGIFD-UHFFFAOYSA-N | Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC1C |
Metyrapone | 2-methyl-1,2-bis(3-pyridinyl)-1-propanone | 4174 | FJLBFSROUSIWMA-UHFFFAOYSA-N | CC(C)(C(=O)c1cccnc1)c1cccnc1 |
MexiletineВ·HCl | 1-(2,6-dimethylphenoxy)-2-propanamine | 4178 | VLPIATFUUWWMKC-UHFFFAOYSA-N | Cc1cccc(C)c1OCC(C)N |
Mianserin | 5-methyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene | 4184 | UEQUQVLFIPOEMF-UHFFFAOYSA-N | CN1CCN2c3ccccc3Cc3ccccc3C2C1 |
Miconazole | 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole | 4189 | BYBLEWFAAKGYCD-UHFFFAOYSA-N | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 |
Amlodipine | 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester | 2162 | HTIQEAQVCYTUBX-UHFFFAOYSA-N | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl |
Minocycline | (4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide | 54675783 | FFTVPQUHLQBXQZ-KVUCHLLUSA-N | CN(C)c1ccc(O)c2c1CC1CC3C(N(C)C)C(=O)C(C(N)=O)=C(O)C3(O)C(=O)C1=C2O |
Mirtazapine | 5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene | 4205 | RONZAEMNMFQXRA-UHFFFAOYSA-N | CN1CCN2c3ncccc3Cc3ccccc3C2C1 |
Mitotane | 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene | 4211 | JWBOIMRXGHLCPP-UHFFFAOYSA-N | Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1 |
Modafinil | 2-(diphenylmethyl)sulfinylacetamide | 4236 | YFGHCGITMMYXAQ-UHFFFAOYSA-N | NC(=O)CS(=O)C(c1ccccc1)c1ccccc1 |
MoexiprilВ·HCl | (3S)-2-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-1-oxopropyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid | 91270 | UWWDHYUMIORJTA-HSQYWUDLSA-N | CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1Cc2cc(OC)c(OC)cc2CC1C(=O)O |
MontelukastВ·Na | 2-[1-[[[(1R)-1-[3-[(E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]thio]methyl]cyclopropyl]acetic acid | 5281040 | UCHDWCPVSPXUMX-TZIWLTJVSA-N | CC(C)(O)c1ccccc1CCC(SCC1(CC(=O)O)CC1)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1 |
MoxifloxacinВ·HCl | 7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid | 152946 | FABPRXSRWADJSP-MEDUHNTESA-N | COc1c(N2CC3CCCNC3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 |
Mycophenolic acid | (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-4-hexenoic acid | 446541 | HPNSFSBZBAHARI-RUDMXATFSA-N | COc1c(C)c2c(c(O)c1CC=C(C)CCC(=O)O)C(=O)OC2 |
NaratriptanВ·HCl | N-methyl-2-[3-(1-methyl-4-piperidinyl)-1H-indol-5-yl]ethanesulfonamide | 4440 | AMKVXSZCKVJAGH-UHFFFAOYSA-N | CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1 |
NebivololВ·HCl | 1-(6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl)-2-[[2-(6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl)-2-hydroxyethyl]amino]ethanol | 71301 | KOHIRBRYDXPAMZ-UHFFFAOYSA-N | OC(CNCC(O)C1CCc2cc(F)ccc2O1)C1CCc2cc(F)ccc2O1 |
Amoxapine | 8-chloro-6-(1-piperazinyl)benzo[b][1,4]benzoxazepine | 2170 | QWGDMFLQWFTERH-UHFFFAOYSA-N | Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2 |
Nelfinavir mesylate | (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[[(3-hydroxy-2-methylphenyl)-oxomethyl]amino]-4-(phenylthio)butyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide | 64143 | QAGYKUNXZHXKMR-HKWSIXNMSA-N | Cc1c(O)cccc1C(=O)NC(CSc1ccccc1)C(O)CN1CC2CCCCC2CC1C(=O)NC(C)(C)C |
Nisoldipine | 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-(2-methylpropyl) ester | 4499 | VKQFCGNPDRICFG-UHFFFAOYSA-N | COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-] |
NortriptylineВ·HCl | N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)-1-propanamine | 4543 | PHVGLTMQBUFIQQ-UHFFFAOYSA-N | CNCCC=C1c2ccccc2CCc2ccccc21 |
Nystatin | (1S,15S,16R,17R,18S,19E,21E,25E,27E,29E,31E)-33-[[(2S,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid | 6433272 | VQOXZBDYSJBXMA-RKEBNKJGSA-N | CC1C=CC=CCCC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O |
Ofloxacin | 7-fluoro-2-methyl-6-(4-methyl-1-piperazinyl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid | 4583 | GSDSWSVVBLHKDQ-UHFFFAOYSA-N | CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 |
Olopatadine | 2-[(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid | 5281071 | JBIMVDZLSHOPLA-LSCVHKIXSA-N | CN(C)CCC=C1c2ccccc2COc2ccc(CC(=O)O)cc21 |
Ondansetron | 9-methyl-3-[(2-methyl-1-imidazolyl)methyl]-2,3-dihydro-1H-carbazol-4-one | 4595 | FELGMEQIXOGIFQ-UHFFFAOYSA-N | Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O |
Oseltamivir phosphate | (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxy-1-cyclohexenecarboxylic acid ethyl ester | 65028 | VSZGPKBBMSAYNT-RRFJBIMHSA-N | CCOC(=O)C1=CC(OC(CC)CC)C(NC(C)=O)C(N)C1 |
Oxethazaine | 2-[2-hydroxyethyl-[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-N-methyl-N-(2-methyl-1-phenylpropan-2-yl)acetamide | 4621 | FTLDJPRFCGDUFH-UHFFFAOYSA-N | CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc1ccccc1 |
PalonosetronВ·HCl | (3aS)-2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one | 6337614 | CPZBLNMUGSZIPR-NVXWUHKLSA-N | O=C1c2cccc3c2C(CCC3)CN1C1CN2CCC1CC2 |
Antazoline phosphate | N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-(phenylmethyl)aniline | 2200 | REYFJDPCWQRWAA-UHFFFAOYSA-N | c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1 |
PazopanibВ·HCl | 5-[[4-[(2,3-dimethyl-6-indazolyl)-methylamino]-2-pyrimidinyl]amino]-2-methylbenzenesulfonamide | 10113978 | CUIHSIWYWATEQL-UHFFFAOYSA-N | Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O |
Pemirolast potassium | 9-methyl-3-(2H-tetrazol-5-yl)-4-pyrido[1,2-a]pyrimidinone | 57697 | HIANJWSAHKJQTH-UHFFFAOYSA-N | Cc1cccn2c(=O)c(-c3nn[nH]n3)cnc12 |
Phenacetin | N-(4-ethoxyphenyl)acetamide | 4754 | CPJSUEIXXCENMM-UHFFFAOYSA-N | CCOc1ccc(NC(C)=O)cc1 |
PhenoxybenzamineВ·HCl | N-(2-chloroethyl)-1-phenoxy-N-(phenylmethyl)-2-propanamine | 4768 | QZVCTJOXCFMACW-UHFFFAOYSA-N | CC(COc1ccccc1)N(CCCl)Cc1ccccc1 |
PilocarpineВ·HCl | (3S,4R)-3-ethyl-4-[(3-methyl-4-imidazolyl)methyl]-2-oxolanone | 5910 | QCHFTSOMWOSFHM-WPRPVWTQSA-N | CCC1C(=O)OCC1Cc1cncn1C |
PioglitazoneВ·HCl | 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]thiazolidine-2,4-dione | 4829 | HYAFETHFCAUJAY-UHFFFAOYSA-N | CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1 |
Piroxicam | 4-hydroxy-2-methyl-1,1-dioxo-N-(2-pyridinyl)-1lambda6,2-benzothiazine-3-carboxamide | 54676228 | QYSPLQLAKJAUJT-UHFFFAOYSA-N | CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O |
Pitavastatin calcium | (E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoic acid | 5282452 | VGYFMXBACGZSIL-MCBHFWOFSA-N | O=C(O)CC(O)CC(O)C=Cc1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 |
Pramipexole dihydrochloride monohydrate | (6S)-N6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine | 119570 | FASDKYOPVNHBLU-ZETCQYMHSA-N | CCCNC1CCc2nc(N)sc2C1 |
PravastatinВ·Na | (3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-[(2S)-2-methyl-1-oxobutoxy]-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid | 54687 | TUZYXOIXSAXUGO-PZAWKZKUSA-N | CCC(C)C(=O)OC1CC(O)C=C2C=CC(C)C(CCC(O)CC(O)CC(=O)O)C21 |
Apomorphine | (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol | 6005 | VMWNQDUVQKEIOC-CYBMUJFWSA-N | CN1CCc2cccc3c2C1Cc1ccc(O)c(O)c1-3 |
Praziquantel | 2-[cyclohexyl(oxo)methyl]-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one | 4891 | FSVJFNAIGNNGKK-UHFFFAOYSA-N | O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3C2C1 |
Prazosin | [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-(2-furanyl)methanone | 4893 | IENZQIKPVFGBNW-UHFFFAOYSA-N | COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC |
ProcainamideВ·HCl | 4-amino-N-[2-(diethylamino)ethyl]benzamide | 4913 | REQCZEXYDRLIBE-UHFFFAOYSA-N | CCN(CC)CCNC(=O)c1ccc(N)cc1 |
Promethazine | N,N-dimethyl-1-(10-phenothiazinyl)-2-propanamine | 4927 | PWWVAXIEGOYWEE-UHFFFAOYSA-N | CC(CN1c2ccccc2Sc2ccccc21)N(C)C |
PropafenoneВ·HCl | 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenyl-1-propanone | 4932 | JWHAUXFOSRPERK-UHFFFAOYSA-N | CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1 |
PropranololВ·HCl | 1-(1-naphthalenyloxy)-3-(propan-2-ylamino)-2-propanol | 4946 | AQHHHDLHHXJYJD-UHFFFAOYSA-N | CC(C)NCC(O)COc1cccc2ccccc12 |
ProtriptylineВ·HCl | N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-1-propanamine | 4976 | BWPIARFWQZKAIA-UHFFFAOYSA-N | CNCCCC1c2ccccc2C=Cc2ccccc21 |
Pyrazinamide | 2-pyrazinecarboxamide | 1046 | IPEHBUMCGVEMRF-UHFFFAOYSA-N | NC(=O)c1cnccn1 |
Pyrimethamine | 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine | 4993 | WKSAUQYGYAYLPV-UHFFFAOYSA-N | CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 |
Quetiapine | 2-[2-[4-(6-benzo[b][1,4]benzothiazepinyl)-1-piperazinyl]ethoxy]ethanol | 5002 | URKOMYMAXPYINW-UHFFFAOYSA-N | OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1 |
Aprepitant | 3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,4-dihydro-1,2,4-triazol-5-one | 135413536 | ATALOFNDEOCMKK-OITMNORJSA-N | CC(OC1OCCN(Cc2n[nH]c(=O)[nH]2)C1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 |
Quinacrine | N4-(6-chloro-2-methoxy-9-acridinyl)-N1,N1-diethylpentane-1,4-diamine | 237 | GPKJTRJOBQGKQK-UHFFFAOYSA-N | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 |
QuinidineВ·HClВ·H2O | (S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-quinolinyl)methanol | 441074 | LOUPRKONTZGTKE-LHHVKLHASA-N | C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12 |
Quinine sulfate | (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-quinolinyl)methanol | 3034034 | LOUPRKONTZGTKE-WZBLMQSHSA-N | C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12 |
RabeprazoleВ·Na | 2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole | 5029 | YREYEVIYCVEVJK-UHFFFAOYSA-N | COCCCOc1ccnc(CS(=O)c2nc3ccccc3[nH]2)c1C |
RaloxifeneВ·HCl | [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-[2-(1-piperidinyl)ethoxy]phenyl]methanone | 5035 | GZUITABIAKMVPG-UHFFFAOYSA-N | O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12 |
Raltegravir | N-[2-[4-[[(4-fluorophenyl)methylamino]-oxomethyl]-5-hydroxy-1-methyl-6-oxo-2-pyrimidinyl]propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide | 54671008 | CZFFBEXEKNGXKS-UHFFFAOYSA-N | Cc1nnc(C(=O)NC(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)o1 |
Rifaximin | acetic acid [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,36-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22,30-octamethyl-6,23-dioxo-8,37-dioxa-24,27,33-triazahexacyclo[23.10.1.14,7.05,35.026,34.027,32]heptatriaconta-1(35),2,4,9,19,21,25(36),26(34),28,30,32-undecaen-13-yl] ester | 6436173 | NZCRJKRKKOLAOJ-XRCRFVBUSA-N | COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C |
Rimantadine | 1-(1-adamantyl)ethanamine | 5071 | UBCHPRBFMUDMNC-UHFFFAOYSA-N | CC(N)C12CC3CC(CC(C3)C1)C2 |
Rivastigmine tartrate | N-ethyl-N-methylcarbamic acid [3-[(1S)-1-(dimethylamino)ethyl]phenyl] ester | 77991 | XSVMFMHYUFZWBK-NSHDSACASA-N | CCN(C)C(=O)Oc1cccc(C(C)N(C)C)c1 |
Ropinirole | 4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one | 5095 | UHSKFQJFRQCDBE-UHFFFAOYSA-N | CCCN(CCC)CCc1cccc2c1CC(=O)N2 |
Acebutolol | N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide | 1978 | GOEMGAFJFRBGGG-UHFFFAOYSA-N | CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1 |
Artemether | (1R,4S,5R,8S,9R,10S,12R,13R)-10-methoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane | 68911 | SXYIRMFQILZOAM-HVNFFKDJSA-N | COC1OC2OC3(C)CCC4C(C)CCC(C1C)C24OO3 |
Rosiglitazone | 5-[[4-[2-[methyl(2-pyridinyl)amino]ethoxy]phenyl]methyl]thiazolidine-2,4-dione | 77999 | YASAKCUCGLMORW-UHFFFAOYSA-N | CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1 |
Saquinavir mesylate | (2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-[(tert-butylamino)-oxomethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-[[oxo(2-quinolinyl)methyl]amino]butanediamide | 441243 | QWAXKHKRTORLEM-UGJKXSETSA-N | CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)c1ccc2ccccc2n1 |
ScopolamineВ·HBr | (2S)-3-hydroxy-2-phenylpropanoic acid [(1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] ester | 3000322 | STECJAGHUSJQJN-USLFZFAMSA-N | CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12 |
SelegilineВ·HCl | (2R)-N-methyl-1-phenyl-N-prop-2-ynyl-2-propanamine | 26757 | MEZLKOACVSPNER-GFCCVEGCSA-N | C#CCN(C)C(C)Cc1ccccc1 |
Sertraline | (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine | 68617 | VGKDLMBJGBXTGI-SJCJKPOMSA-N | CNC1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21 |
Simvastatin | 2,2-dimethylbutanoic acid [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-2-oxanyl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester | 54454 | RYMZZMVNJRMUDD-HGQWONQESA-N | CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21 |
Sitagliptin phosphate | (3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)-1-butanone | 4369359 | MFFMDFFZMYYVKS-SECBINFHSA-N | NC(CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F |
Solifenacin succinate | (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid [(3R)-1-azabicyclo[2.2.2]octan-3-yl] ester | 154059 | FBOUYBDGKBSUES-VXKWHMMOSA-N | O=C(OC1CN2CCC1CC2)N1CCc2ccccc2C1c1ccccc1 |
Tamoxifen citrate | 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine | 2733526 | NKANXQFJJICGDU-QPLCGJKRSA-N | CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 |
Tamsulosin HCl | 5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide | 129211 | DRHKJLXJIQTDTD-OAHLLOKOSA-N | CCOc1ccccc1OCCNC(C)Cc1ccc(OC)c(S(N)(=O)=O)c1 |
Atazanavir | N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-1-oxobutyl]amino]-4-phenylbutyl]-2-[[4-(2-pyridinyl)phenyl]methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid methyl ester | 148192 | AXRYRYVKAWYZBR-GASGPIRDSA-N | COC(=O)NC(C(=O)NC(Cc1ccccc1)C(O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)C(NC(=O)OC)C(C)(C)C)C(C)(C)C |
Telithromycin | (1S,2R,5R,7R,8R,9R,11R,13R,14R)-8-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-15-[4-[4-(3-pyridinyl)-1-imidazolyl]butyl]-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone | 3002190 | LJVAJPDWBABPEJ-PNUFFHFMSA-N | CCC1OC(=O)C(C)C(=O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C2N(CCCCn3cnc(-c4cccnc4)c3)C(=O)OC12C |
Temazepam | 7-chloro-3-hydroxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one | 5391 | SEQDDYPDSLOBDC-UHFFFAOYSA-N | CN1C(=O)C(O)N=C(c2ccccc2)c2cc(Cl)ccc21 |
Tenoxicam | 4-hydroxy-2-methyl-1,1-dioxo-N-(2-pyridinyl)-3-thieno[2,3-e]thiazinecarboxamide | 54677971 | LZNWYQJJBLGYLT-UHFFFAOYSA-N | CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O |
Terazosin | [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-(2-oxolanyl)methanone | 5401 | VCKUSRYTPJJLNI-UHFFFAOYSA-N | COc1cc2nc(N3CCN(C(=O)C4CCCO4)CC3)nc(N)c2cc1OC |
Terbutaline hemisulfate | 5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol | 5403 | XWTYSIMOBUGWOL-UHFFFAOYSA-N | CC(C)(C)NCC(O)c1cc(O)cc(O)c1 |
Thalidomide | 2-(2,6-dioxo-3-piperidinyl)isoindole-1,3-dione | 5426 | UEJJHQNACJXSKW-UHFFFAOYSA-N | O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1 |
Theophylline | 1,3-dimethyl-7H-purine-2,6-dione | 2153 | ZFXYFBGIUFBOJW-UHFFFAOYSA-N | Cn1c(=O)c2[nH]cnc2n(C)c1=O |
Thiabendazole | 4-(1H-benzimidazol-2-yl)thiazole | 5430 | WJCNZQLZVWNLKY-UHFFFAOYSA-N | c1ccc2[nH]c(-c3cscn3)nc2c1 |
Thioguanine (6-Thioguanine) | 2-amino-3,7-dihydropurine-6-thione | 2723601 | WYWHKKSPHMUBEB-UHFFFAOYSA-N | Nc1nc(=S)c2[nH]cnc2[nH]1 |
TiagabineВ·HCl | (3R)-1-[4,4-bis(3-methyl-2-thiophenyl)but-3-enyl]-3-piperidinecarboxylic acid | 60648 | PBJUNZJWGZTSKL-MRXNPFEDSA-N | Cc1ccsc1C(=CCCN1CCCC(C(=O)O)C1)c1sccc1C |
Atenolol | 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide | 2249 | METKIMKYRPQLGS-UHFFFAOYSA-N | CC(C)NCC(O)COc1ccc(CC(N)=O)cc1 |
TiclopidineВ·HCl | 5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine | 5472 | PHWBOXQYWZNQIN-UHFFFAOYSA-N | Clc1ccccc1CN1CCc2sccc2C1 |
Tolbutamide | 1-butyl-3-(4-methylphenyl)sulfonylurea | 5505 | JLRGJRBPOGGCBT-UHFFFAOYSA-N | CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1 |
Tolterodine tartrate | 2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol | 443879 | OOGJQPCLVADCPB-HXUWFJFHSA-N | Cc1ccc(O)c(C(CCN(C(C)C)C(C)C)c2ccccc2)c1 |
Tolvaptan | N-[4-[(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-oxomethyl]-3-methylphenyl]-2-methylbenzamide | 216237 | GYHCTFXIZSNGJT-UHFFFAOYSA-N | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc32)c(C)c1 |
Topiramate | sulfamic acid [(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl ester | 5284627 | KJADKKWYZYXHBB-XBWDGYHZSA-N | CC1(C)OC2COC3(COS(N)(=O)=O)OC(C)(C)OC3C2O1 |
Topotecan | (19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]heneicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione | 60700 | UCFGDBYHRUNTLO-QHCPKHFHSA-N | CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1 |
Torsemide | 1-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea | 41781 | NGBFQHCMQULJNZ-UHFFFAOYSA-N | Cc1cccc(Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C)c1 |
TramadolВ·HCl | (1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-1-cyclohexanol | 33741 | TVYLLZQTGLZFBW-ZBFHGGJFSA-N | COc1cccc(C2(O)CCCCC2CN(C)C)c1 |
Tranylcypromine Hemisulfate | (1R,2S)-2-phenyl-1-cyclopropanamine | 19493 | AELCINSCMGFISI-DTWKUNHWSA-N | NC1CC1c1ccccc1 |
Trazodone | 2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one | 5533 | PHLBKPHSAVXXEF-UHFFFAOYSA-N | O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12 |
Atorvastatin calcium | (3R,5R)-7-[4-[anilino(oxo)methyl]-2-(4-fluorophenyl)-3-phenyl-5-propan-2-yl-1-pyrrolyl]-3,5-dihydroxyheptanoic acid | 60823 | XUKUURHRXDUEBC-KAYWLYCHSA-N | CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)O |
Triamcinolone acetonide | (8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11,16,17-trihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one | 31307 | GFNANZIMVAIWHM-OBYCQNJPSA-N | CC12C=CC(=O)C=C1CCC1C3CC(O)C(O)(C(=O)CO)C3(C)CC(O)C12F |
Triamterene | 6-phenylpteridine-2,4,7-triamine | 5546 | FNYLWPVRPXGIIP-UHFFFAOYSA-N | Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1 |
Triazolam | 8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine | 5556 | JOFWLTCLBGQGBO-UHFFFAOYSA-N | Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2 |
TrifluoperazineВ· HCl | 10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)phenothiazine | 5566 | ZEWQUBUPAILYHI-UHFFFAOYSA-N | CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 |
Trimethobenzamide | N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4,5-trimethoxybenzamide | 5577 | FEZBIKUBAYAZIU-UHFFFAOYSA-N | COc1cc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc(OC)c1OC |
Trimethoprim | 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine | 5578 | IEDVJHCEMCRBQM-UHFFFAOYSA-N | COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC |
Triprolidine | 2-[(E)-1-(4-methylphenyl)-3-(1-pyrrolidinyl)prop-1-enyl]pyridine | 5282443 | CBEQULMOCCWAQT-WOJGMQOQSA-N | Cc1ccc(C(=CCN2CCCC2)c2ccccn2)cc1 |
Tropisetron | 1H-indole-3-carboxylic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester | 656665 | ZNRGQMMCGHDTEI-FUNVUKJBSA-N | CN1C2CCC1CC(OC(=O)c1c[nH]c3ccccc13)C2 |
Trospium chloride | 2-hydroxy-2,2-diphenylacetic acid [(1R,5S)-3-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]yl] ester | 5284632 | OYYDSUSKLWTMMQ-AIZNXBIQSA-N | O=C(OC1CC2CCC(C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1 |
Vardenafil | 2-[2-ethoxy-5-[(4-ethyl-1-piperazinyl)sulfonyl]phenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one | 135400189 | SECKRCOLJRRGGV-UHFFFAOYSA-N | CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)nn12 |
Atovaquone | 3-[4-(4-chlorophenyl)cyclohexyl]-4-hydroxynaphthalene-1,2-dione | 74989 | BSJMWHQBCZFXBR-UHFFFAOYSA-N | O=C1C(=O)c2ccccc2C(O)=C1C1CCC(c2ccc(Cl)cc2)CC1 |
Vinorelbine | (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(12S,14R)-16-ethyl-12-methoxycarbonyl-1,10-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8,15-pentaen-12-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylic acid methyl ester | 5311497 | GBABOYUKABKIAF-IELIFDKJSA-N | CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2 |
Zafirlukast | N-[3-[[2-methoxy-4-[[(2-methylphenyl)sulfonylamino]-oxomethyl]phenyl]methyl]-1-methyl-5-indolyl]carbamic acid cyclopentyl ester | 5717 | YEEZWCHGZNKEEK-UHFFFAOYSA-N | COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12 |
Zolmitriptan | (4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-2-oxazolidinone | 60857 | ULSDMUVEXKOYBU-ZDUSSCGKSA-N | CN(C)CCc1c[nH]c2ccc(CC3COC(=O)N3)cc12 |
Zolpidem | N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)-3-imidazo[1,2-a]pyridinyl]acetamide | 5732 | ZAFYATHCZYHLPB-UHFFFAOYSA-N | Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1 |
Alfuzosin | N-[3-[(4-amino-6,7-dimethoxy-2-quinazolinyl)-methylamino]propyl]-2-oxolanecarboxamide | 2092 | WNMJYKCGWZFFKR-UHFFFAOYSA-N | COc1cc2nc(N(C)CCCNC(=O)C3CCCO3)nc(N)c2cc1OC |
Amantadine | 1-adamantanamine | 2130 | DKNWSYNQZKUICI-UHFFFAOYSA-N | NC12CC3CC(CC(C3)C1)C2 |
Anastrozole | 2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile | 2187 | YBBLVLTVTVSKRW-UHFFFAOYSA-N | CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1 |
Bicalutamide | N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide | 2375 | LKJPYSCBVHEWIU-UHFFFAOYSA-N | CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 |
Biperiden | 1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-(1-piperidinyl)-1-propanol | 2381 | YSXKPIUOCJLQIE-UHFFFAOYSA-N | OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2 |
Bromocriptine mesylate | (6aR,9R)-5-bromo-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide | 31101 | OZVBMTJYIDMWIL-AYFBDAFISA-N | CC(C)CC1C(=O)N2CCCC2C2(O)OC(NC(=O)C3C=C4c5cccc6[nH]c(Br)c(c56)CC4N(C)C3)(C(C)C)C(=O)N12 |
Azithromycin | (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-2-ethyl-3,4,10-trihydroxy-13-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one | 447043 | MQTOSJVFKKJCRP-BICOPXKESA-N | CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O |
Bupropion | 2-(tert-butylamino)-1-(3-chlorophenyl)-1-propanone | 444 | SNPPWIUOZRMYNY-UHFFFAOYSA-N | CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1 |
Carvedilol | 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]-2-propanol | 2585 | OGHNVEJMJSYVRP-UHFFFAOYSA-N | COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12 |
Cetirizine | 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]ethoxy]acetic acid | 2678 | ZKLPARSLTMPFCP-UHFFFAOYSA-N | O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1 |
Clonidine | N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine | 2803 | GJSURZIOUXUGAL-UHFFFAOYSA-N | Clc1cccc(Cl)c1NC1=NCCN1 |
Colchicine | N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide | 6167 | IAKHMKGGTNLKSZ-INIZCTEOSA-N | COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2 |
Cyclobenzaprine | N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)-1-propanamine | 2895 | JURKNVYFZMSNLP-UHFFFAOYSA-N | CN(C)CCC=C1c2ccccc2C=Cc2ccccc21 |
Cyclophosphamide | N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphorinan-2-amine | 2907 | CMSMOCZEIVJLDB-UHFFFAOYSA-N | O=P1(N(CCCl)CCCl)NCCCO1 |
Dicyclomine | 1-cyclohexyl-1-cyclohexanecarboxylic acid 2-(diethylamino)ethyl ester | 3042 | CURUTKGFNZGFSE-UHFFFAOYSA-N | CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1 |
Dipyridamole | 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-bis(1-piperidinyl)-6-pyrimido[5,4-d]pyrimidinyl]-(2-hydroxyethyl)amino]ethanol | 3108 | IZEKFCXSFNUWAM-UHFFFAOYSA-N | OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1 |
Doxazosin mesylate | [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone | 3157 | RUZYUOTYCVRMRZ-UHFFFAOYSA-N | COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC |
Bambuterol | N,N-dimethylcarbamic acid [3-[2-(tert-butylamino)-1-hydroxyethyl]-5-[dimethylamino(oxo)methoxy]phenyl] ester | 54766 | ANZXOIAKUNOVQU-UHFFFAOYSA-N | CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(C(O)CNC(C)(C)C)c1 |
Enalapril | (2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid | 5388962 | GBXSMTUPTTWBMN-XIRDDKMYSA-N | CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1CCCC1C(=O)O |
Ergotamine tartrate | (6aR,9R)-N-[(1S,2S,4R,7S)-2-hydroxy-4-methyl-5,8-dioxo-7-(phenylmethyl)-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide | 8223 | XCGSFFUVFURLIX-VFGNJEKYSA-N | CN1CC(C(=O)NC2(C)OC3(O)C4CCCN4C(=O)C(Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)CC21 |
Eszopiclone | 4-methyl-1-piperazinecarboxylic acid [(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] ester | 969472 | GBBSUAFBMRNDJC-INIZCTEOSA-N | CN1CCN(C(=O)OC2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1 |
Etodolac | 2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid | 3308 | NNYBQONXHNTVIJ-UHFFFAOYSA-N | CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)O)OCC3 |
Ezetimibe | (3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-2-azetidinone | 150311 | OLNTVTPDXPETLC-XPWALMASSA-N | O=C1C(CCC(O)c2ccc(F)cc2)C(c2ccc(O)cc2)N1c1ccc(F)cc1 |
Febuxostat | 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid | 134018 | BQSJTQLCZDPROO-UHFFFAOYSA-N | Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O |
Fluconazole | 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)-2-propanol | 3365 | RFHAOTPXVQNOHP-UHFFFAOYSA-N | OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F |
Fluvoxamine Maleate | 2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine | 5324346 | CJOFXWAVKWHTFT-XSFVSMFZSA-N | COCCCCC(=NOCCN)c1ccc(C(F)(F)F)cc1 |
Glipizide | N-[2-[4-[[(cyclohexylamino)-oxomethyl]sulfamoyl]phenyl]ethyl]-5-methyl-2-pyrazinecarboxamide | 3478 | ZJJXGWJIGJFDTL-UHFFFAOYSA-N | Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1 |
(+)-Griseofulvin | (2S,5'R)-7-chloro-3',4,6-trimethoxy-5'-methylspiro[benzofuran-2,4'-cyclohex-2-ene]-1',3-dione | 441140 | DDUHZTYCFQRHIY-RBHXEPJQSA-N | COC1=CC(=O)CC(C)C12Oc1c(Cl)c(OC)cc(OC)c1C2=O |
3-(Benzhydryloxy)-8-methyl-8-azabicyclo[3.2.1]octane methanesulfonate | 3-(diphenylmethyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane;methanesulfonic acid | 238053 | CPFJLLXFNPCTDW-UHFFFAOYSA-N | CN1C2CCC1CC(OC(c1ccccc1)c1ccccc1)C2.CS(=O)(=O)O |
Indapamide | 4-chloro-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoylbenzamide | 3702 | NDDAHWYSQHTHNT-UHFFFAOYSA-N | CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 |
Irbesartan | 2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one | 3749 | YOSHYTLCDANDAN-UHFFFAOYSA-N | CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 |
Isradipine | 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-propan-2-yl ester | 3784 | HMJIYCCIJYRONP-UHFFFAOYSA-N | COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc2nonc12 |
Ketorolac tromethamine | 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid | 3826 | OZWKMVRBQXNZKK-UHFFFAOYSA-N | O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O |
Loperamide | 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-N,N-dimethyl-2,2-diphenylbutanamide | 3955 | RDOIQAHITMMDAJ-UHFFFAOYSA-N | CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 |
Losartan | [2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-imidazolyl]methanol | 3961 | PSIFNNKUMBGKDQ-UHFFFAOYSA-N | CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 |
Mebendazole | N-(6-benzoyl-1H-benzimidazol-2-yl)carbamic acid methyl ester | 4030 | OPXLLQIJSORQAM-UHFFFAOYSA-N | COC(=O)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 |
Mefloquine | [2,8-bis(trifluoromethyl)-4-quinolinyl]-(2-piperidinyl)methanol | 4046 | XEEQGYMUWCZPDN-UHFFFAOYSA-N | OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1 |
Metaxalone | 5-[(3,5-dimethylphenoxy)methyl]-2-oxazolidinone | 15459 | IMWZZHHPURKASS-UHFFFAOYSA-N | Cc1cc(C)cc(OCC2CNC(=O)O2)c1 |
Methoxsalen | 9-methoxy-7-furo[3,2-g][1]benzopyranone | 4114 | QXKHYNVANLEOEG-UHFFFAOYSA-N | COc1c2occc2cc2ccc(=O)oc12 |
Betaxolol | 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)-2-propanol | 2369 | NWIUTZDMDHAVTP-UHFFFAOYSA-N | CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1 |
Metoprolol tartrate | 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)-2-propanol | 4171 | IUBSYMUCCVWXPE-UHFFFAOYSA-N | COCCc1ccc(OCC(O)CNC(C)C)cc1 |
Mifepristone | (8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one | 55245 | VKHAHZOOUSRJNA-GCNJZUOMSA-N | CC#CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(c3ccc(N(C)C)cc3)CC21C |
Naproxen | (2S)-2-(6-methoxy-2-naphthalenyl)propanoic acid | 156391 | CMWTZPSULFXXJA-VIFPVBQESA-N | COc1ccc2cc(C(C)C(=O)O)ccc2c1 |
Nateglinide | (2R)-2-[[oxo-(4-propan-2-ylcyclohexyl)methyl]amino]-3-phenylpropanoic acid | 5311309 | OELFLUMRDSZNSF-OFLPRAFFSA-N | CC(C)C1CCC(C(=O)NC(Cc2ccccc2)C(=O)O)CC1 |
Nefazodone | 2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-5-ethyl-4-(2-phenoxyethyl)-1,2,4-triazol-3-one | 4449 | VRBKIVRKKCLPHA-UHFFFAOYSA-N | CCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCOc1ccccc1 |
Olanzapine | 2-methyl-4-(4-methyl-1-piperazinyl)-10H-thieno[2,3-b][1,5]benzodiazepine | 135398745 | KVWDHTXUZHCGIO-UHFFFAOYSA-N | Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1 |
Omeprazole | 6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole | 4594 | SUBDBMMJDZJVOS-UHFFFAOYSA-N | COc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1 |
Oxaprozin | 3-(4,5-diphenyl-2-oxazolyl)propanoic acid | 4614 | OFPXSFXSNFPTHF-UHFFFAOYSA-N | O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 |
Oxcarbazepine | 5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide | 34312 | CTRLABGOLIVAIY-UHFFFAOYSA-N | NC(=O)N1c2ccccc2CC(=O)c2ccccc21 |
Oxybutynin chloride | 2-cyclohexyl-2-hydroxy-2-phenylacetic acid 4-(diethylamino)but-2-ynyl ester | 4634 | XIQVNETUBQGFHX-UHFFFAOYSA-N | CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1 |
Bexarotene | 4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid | 82146 | NAVMQTYZDKMPEU-UHFFFAOYSA-N | C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C |
Paroxetine | (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine | 43815 | AHOUBRCZNHFOSL-YOEHRIQHSA-N | Fc1ccc(C2CCNCC2COc2ccc3c(c2)OCO3)cc1 |
Perindopril erbumine | (2S,3aS,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxopentan-2-yl]amino]-1-oxopropyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid | 107807 | IPVQLZZIHOAWMC-QXKUPLGCSA-N | CCCC(NC(C)C(=O)N1C(C(=O)O)CC2CCCCC21)C(=O)OCC |
Pimozide | 3-[1-[4,4-bis(4-fluorophenyl)butyl]-4-piperidinyl]-1H-benzimidazol-2-one | 16362 | YVUQSNJEYSNKRX-UHFFFAOYSA-N | O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 |
Ramelteon | N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e]benzofuran-8-yl]ethyl]propanamide | 208902 | YLXDSYKOBKBWJQ-LBPRGKRZSA-N | CCC(=O)NCCC1CCc2ccc3c(c21)CCO3 |
Reserpine | (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-[oxo-(3,4,5-trimethoxyphenyl)methoxy]-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid methyl ester | 5770 | QEVHRUUCFGRFIF-MDEJGZGSSA-N | COC(=O)C1C2CC3c4[nH]c5cc(OC)ccc5c4CCN3CC2CC(OC(=O)c2cc(OC)c(OC)c(OC)c2)C1OC |
Riluzole | 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine | 5070 | FTALBRSUTCGOEG-UHFFFAOYSA-N | Nc1nc2ccc(OC(F)(F)F)cc2s1 |
Ritonavir | N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[[methyl-[(2-propan-2-yl-4-thiazolyl)methyl]amino]-oxomethyl]amino]-1-oxobutyl]amino]-1,6-diphenylhexan-2-yl]carbamic acid 5-thiazolylmethyl ester | 392622 | NCDNCNXCDXHOMX-XGKFQTDJSA-N | CC(C)c1nc(CN(C)C(=O)NC(C(=O)NC(Cc2ccccc2)CC(O)C(Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1 |
Rosuvastatin calcium | (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-yl-5-pyrimidinyl]-3,5-dihydroxy-6-heptenoic acid | 446157 | BPRHUIZQVSMCRT-VEUZHWNKSA-N | CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1C=CC(O)CC(O)CC(=O)O |
Sumatriptan succinate | 1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide | 5358 | KQKPFRSPSRPDEB-UHFFFAOYSA-N | CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1 |
Tadalafil | (2R,8R)-2-(1,3-benzodioxol-5-yl)-6-methyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione | 110635 | WOXKDUGGOYFFRN-IIBYNOLFSA-N | CN1CC(=O)N2C(Cc3c([nH]c4ccccc34)C2c2ccc3c(c2)OCO3)C1=O |
Acetaminophen | N-(4-hydroxyphenyl)acetamide | 1983 | RZVAJINKPMORJF-UHFFFAOYSA-N | CC(=O)Nc1ccc(O)cc1 |
Bosentan | 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl]benzenesulfonamide | 104865 | GJPICJJJRGTNOD-UHFFFAOYSA-N | COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO |
Telmisartan | 2-[4-[[4-methyl-6-(1-methyl-2-benzimidazolyl)-2-propyl-1-benzimidazolyl]methyl]phenyl]benzoic acid | 65999 | RMMXLENWKUUMAY-UHFFFAOYSA-N | CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 |
Tolazamide | 1-(1-azepanyl)-3-(4-methylphenyl)sulfonylurea | 5503 | OUDSBRTVNLOZBN-UHFFFAOYSA-N | Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1 |
Trandolapril | (2S,3aR,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-1-oxopropyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid | 5484727 | VXFJYXUZANRPDJ-WTNASJBWSA-N | CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1C(C(=O)O)CC2CCCCC21 |
Trihexyphenidyl | 1-cyclohexyl-1-phenyl-3-(1-piperidinyl)-1-propanol | 5572 | HWHLPVGTWGOCJO-UHFFFAOYSA-N | OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1 |
Venlafaxine | 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-1-cyclohexanol | 5656 | PNVNVHUZROJLTJ-UHFFFAOYSA-N | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 |
Verapamil | 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile | 2520 | SGTNSNPWRIOYBX-UHFFFAOYSA-N | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC |
Voriconazole | (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoro-4-pyrimidinyl)-1-(1,2,4-triazol-1-yl)-2-butanol | 71616 | BCEHBSKCWLPMDN-MGPLVRAMSA-N | CC(c1ncncc1F)C(O)(Cn1cncn1)c1ccc(F)cc1F |
Warfarin | 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one | 54678486 | PJVWKTKQMONHTI-UHFFFAOYSA-N | CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O |
Zaleplon | N-[3-(3-cyano-7-pyrazolo[1,5-a]pyrimidinyl)phenyl]-N-ethylacetamide | 5719 | HUNXMJYCHXQEGX-UHFFFAOYSA-N | CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1 |
Ziprasidone hydrochloride | 5-[2-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]ethyl]-6-chloro-1,3-dihydroindol-2-one | 60854 | MVWVFYHBGMAFLY-UHFFFAOYSA-N | O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1 |
Brompheniramine maleate | 3-(4-bromophenyl)-N,N-dimethyl-3-(2-pyridinyl)-1-propanamine | 6834 | ZDIGNSYAACHWNL-UHFFFAOYSA-N | CN(C)CCC(c1ccc(Br)cc1)c1ccccn1 |
Bumetanide | 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid | 2471 | MAEIEVLCKWDQJH-UHFFFAOYSA-N | CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1 |
Buramate | N-(phenylmethyl)carbamic acid 2-hydroxyethyl ester | 20787 | YFLRYAVDPKONNX-UHFFFAOYSA-N | O=C(NCc1ccccc1)OCCO |
Buspirone | 8-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-8-azaspiro[4.5]decane-7,9-dione | 2477 | QWCRAEMEVRGPNT-UHFFFAOYSA-N | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1 |
Cabergoline | (6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide | 54746 | KORNTPPJEAJQIU-KJXAQDMKSA-N | C=CCN1CC(C(=O)N(CCCN(C)C)C(=O)NCC)CC2c3cccc4[nH]cc(c34)CC21 |
Caffeine | 1,3,7-trimethylpurine-2,6-dione | 2519 | RYYVLZVUVIJVGH-UHFFFAOYSA-N | Cn1c(=O)c2c(ncn2C)n(C)c1=O |
Calcitriol | (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol | 5280453 | GMRQFYUYWCNGIN-NKMMMXOESA-N | C=C1C(=CC=C2CCCC3(C)C2CCC3C(C)CCCC(C)(C)O)CC(O)CC1O |
Candesartan | 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-benzimidazolecarboxylic acid | 2541 | HTQMVQVXFRQIKW-UHFFFAOYSA-N | CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 |
Carbamazepine | 11-benzo[b][1]benzazepinecarboxamide | 2554 | FFGPTBGBLSHEPO-UHFFFAOYSA-N | NC(=O)N1c2ccccc2C=Cc2ccccc21 |
Acetohexamide | 1-(4-acetylphenyl)sulfonyl-3-cyclohexylurea | 1989 | VGZSUPCWNCWDAN-UHFFFAOYSA-N | CC(=O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1 |
Carbidopa | (2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid | 34359 | TZFNLOMSOLWIDK-JTQLQIEISA-N | CC(Cc1ccc(O)c(O)c1)(NN)C(=O)O |
Carbinoxamine maleate | 2-[(4-chlorophenyl)-(2-pyridinyl)methoxy]-N,N-dimethylethanamine | 2564 | OJFSXZCBGQGRNV-UHFFFAOYSA-N | CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1 |
Cefpodoxime Proxetil | (6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | 6335986 | WYUSVOMTXWRGEK-HBWVYFAYSA-N | COCC1=C(C(=O)O)N2C(=O)C(NC(=O)C(=NOC)c3csc(N)n3)C2SC1 |
Chloroquine phosphate | N4-(7-chloro-4-quinolinyl)-N1,N1-diethylpentane-1,4-diamine | 2719 | WHTVZRBIWZFKQO-UHFFFAOYSA-N | CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 |
Chlorothiazide | 6-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide | 2720 | JBMKAUGHUNFTOL-UHFFFAOYSA-N | NS(=O)(=O)c1cc2c(cc1Cl)NC=NS2(=O)=O |
Chlorpropamide | 1-(4-chlorophenyl)sulfonyl-3-propylurea | 2727 | RKWGIWYCVPQPMF-UHFFFAOYSA-N | CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1 |
Chlorthalidone | 2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide | 2732 | JIVPVXMEBJLZRO-UHFFFAOYSA-N | NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl |
Chlorzoxazone | 5-chloro-3H-1,3-benzoxazol-2-one | 2733 | TZFWDZFKRBELIQ-UHFFFAOYSA-N | O=c1[nH]c2cc(Cl)ccc2o1 |
Cilostazol | 6-[4-(1-cyclohexyl-5-tetrazolyl)butoxy]-3,4-dihydro-1H-quinolin-2-one | 2754 | RRGUKTPIGVIEKM-UHFFFAOYSA-N | O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1 |
CinacalcetВ·HCl | N-[(1R)-1-(1-naphthalenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]-1-propanamine | 156419 | VDHAWDNDOKGFTD-MRXNPFEDSA-N | CC(NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12 |
Acrivastine | (E)-3-[6-[(E)-1-(4-methylphenyl)-3-(1-pyrrolidinyl)prop-1-enyl]-2-pyridinyl]-2-propenoic acid | 5284514 | PWACSDKDOHSSQD-IUTFFREVSA-N | Cc1ccc(C(=CCN2CCCC2)c2cccc(C=CC(=O)O)n2)cc1 |
Ciprofloxacin | 1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid | 2764 | MYSWGUAQZAJSOK-UHFFFAOYSA-N | O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O |
Clidinium bromide | 2-hydroxy-2,2-diphenylacetic acid (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) ester | 2784 | HOOSGZJRQIVJSZ-UHFFFAOYSA-N | C[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2 |
ClindamycinВ·HCl | (2S,4R)-N-[(1S,2S)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylthio)-2-oxanyl]propyl]-1-methyl-4-propyl-2-pyrrolidinecarboxamide | 446598 | KDLRVYVGXIQJDK-AWPVFWJPSA-N | CCCC1CC(C(=O)NC(C(C)Cl)C2OC(SC)C(O)C(O)C2O)N(C)C1 |
Clomiphene citrate | 2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine | 1548953 | GKIRPKYJQBWNGO-OCEACIFDSA-N | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 |
ClomipramineВ·HCl | 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-1-propanamine | 2801 | GDLIGKIOYRNHDA-UHFFFAOYSA-N | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 |
Clozapine | 3-chloro-6-(4-methyl-1-piperazinyl)-11H-benzo[b][1,4]benzodiazepine | 135398737 | QZUDBNBUXVUHMW-UHFFFAOYSA-N | CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1 |
CromolynВ·Na (Disodium Cromoglycate) | 5-[3-[(2-carboxy-4-oxo-1-benzopyran-5-yl)oxy]-2-hydroxypropoxy]-4-oxo-1-benzopyran-2-carboxylic acid | 2882 | IMZMKUWMOSJXDT-UHFFFAOYSA-N | O=C(O)c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)O)cc(=O)c34)cccc2o1 |
Cyclosporine A | (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone | 5284373 | PMATZTZNYRCHOR-CGLBZJNRSA-N | CC=CCC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C |
CyproheptadineВ·HCl Sesquihydrate | 1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine | 2913 | JJCFRYNCJDLXIK-UHFFFAOYSA-N | CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1 |
Dabigatran etexilate mesylate | 3-[[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-(2-pyridinyl)amino]propanoic acid | 216210 | YBSJFWOBGCMAKL-UHFFFAOYSA-N | Cn1c(CNc2ccc(C(=N)N)cc2)nc2cc(C(=O)N(CCC(=O)O)c3ccccn3)ccc21 |
Acyclovir | 2-amino-9-(2-hydroxyethoxymethyl)-1H-purin-6-one | 135398513 | MKUXAQIIEYXACX-UHFFFAOYSA-N | Nc1nc2c(ncn2COCCO)c(=O)[nH]1 |
Darifenacin hydrobromide | 2-[(3S)-1-[2-(2,3-dihydrobenzofuran-5-yl)ethyl]-3-pyrrolidinyl]-2,2-diphenylacetamide | 444031 | HXGBXQDTNZMWGS-RUZDIDTESA-N | NC(=O)C(c1ccccc1)(c1ccccc1)C1CCN(CCc2ccc3c(c2)CCO3)C1 |
Darunavir | N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] ester | 213039 | CJBJHOAVZSMMDJ-HEXNFIEUSA-N | CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12)S(=O)(=O)c1ccc(N)cc1 |
Delavirdine mesylate | N-[2-[oxo-[4-[3-(propan-2-ylamino)-2-pyridinyl]-1-piperazinyl]methyl]-1H-indol-5-yl]methanesulfonamide | 5625 | WHBIGIKBNXZKFE-UHFFFAOYSA-N | CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1 |
DemeclocyclineВ·HCl | (4S,4aS,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide | 54680690 | GUXHBMASAHGULD-SEYHBJAFSA-N | CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)c4c(O)ccc(Cl)c4C(O)C3CC12 |
DesipramineВ·HCl | 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methyl-1-propanamine | 2995 | HCYAFALTSJYZDH-UHFFFAOYSA-N | CNCCCN1c2ccccc2CCc2ccccc21 |
Desloratadine | 13-chloro-2-(4-piperidinylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene | 124087 | JAUOIFJMECXRGI-UHFFFAOYSA-N | Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1 |
Desvenlafaxine Succinate | 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol | 125017 | KYYIDSXMWOZKMP-UHFFFAOYSA-N | CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1 |
Pristiq | butanedioic acid;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrate | 6918664 | PWPDEXVGKDEKTE-UHFFFAOYSA-N | CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1.O.O=C(O)CCC(=O)O |
Dextromethorphan | (1S,9S,10S)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene | 5360696 | MKXZASYAUGDDCJ-NJAFHUGGSA-N | COc1ccc2c(c1)C13CCCCC1C(C2)N(C)CC3 |
Delsym | (1S,9S,10S)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrobromide | 5464025 | MISZALMBODQYFT-URVXVIKDSA-N | Br.COc1ccc2c(c1)C13CCCCC1C(C2)N(C)CC3 |
Adefovir dipivoxil | 2,2-dimethylpropanoic acid [2-(6-aminopurin-9-yl)ethoxymethyl-[(2,2-dimethyl-1-oxopropoxy)methoxy]phosphoryl]oxymethyl ester | 60871 | WOZSCQDILHKSGG-UHFFFAOYSA-N | CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c(N)ncnc21)OCOC(=O)C(C)(C)C |
Diazoxide | 7-chloro-3-methyl-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide | 3019 | GDLBFKVLRPITMI-UHFFFAOYSA-N | CC1=NS(=O)(=O)c2cc(Cl)ccc2N1 |
DiclofenacВ·Na Salt | 2-[2-(2,6-dichloroanilino)phenyl]acetic acid | 3033 | DCOPUUMXTXDBNB-UHFFFAOYSA-N | O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl |
Dienogest | 2-[(8S,13S,14S,17R)-17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]acetonitrile | 68861 | AZFLJNIPTRTECV-FUMNGEBKSA-N | CC12CCC3=C4CCC(=O)C=C4CCC3C1CCC2(O)CC#N |
Diflunisal | 5-(2,4-difluorophenyl)-2-hydroxybenzoic acid | 3059 | HUPFGZXOMWLGNK-UHFFFAOYSA-N | O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O |
Dimenhydrinate | 8-chloro-1,3-dimethyl-7H-purine-2,6-dione;2-(diphenylmethyl)oxy-N,N-dimethylethanamine | 10660 | NFLLKCVHYJRNRH-UHFFFAOYSA-N | CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O |
DonepezilВ·HCl | 5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methyl]-2,3-dihydroinden-1-one | 3152 | ADEBPBSSDYVVLD-UHFFFAOYSA-N | COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2 |
Doxepin | (3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethyl-1-propanamine | 667477 | ODQWQRRAPPTVAG-GZTJUZNOSA-N | CN(C)CCC=C1c2ccccc2COc2ccccc21 |
Doxylamine succinate | N,N-dimethyl-2-[1-phenyl-1-(2-pyridinyl)ethoxy]ethanamine | 3162 | HCFDWZZGGLSKEP-UHFFFAOYSA-N | CN(C)CCOC(C)(c1ccccc1)c1ccccn1 |
Dutasteride | (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-[2,5-bis(trifluoromethyl)phenyl]-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide | 6918296 | JWJOTENAMICLJG-QWBYCMEYSA-N | CC12C=CC(=O)NC1CCC1C2CCC2(C)C(C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)CCC12 |
Efavirenz | (4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one | 64139 | XPOQHMRABVBWPR-ZDUSSCGKSA-N | O=C1Nc2ccc(Cl)cc2C(C#CC2CC2)(C(F)(F)F)O1 |
Albendazole | N-[6-(propylthio)-1H-benzimidazol-2-yl]carbamic acid methyl ester | 2082 | HXHWSAZORRCQMX-UHFFFAOYSA-N | CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1 |
Erlotinib | N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-4-quinazolinamine | 176870 | AAKJLRGGTJKAMG-UHFFFAOYSA-N | C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1 |
Esomeprazole potassium | 6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole | 9568614 | SUBDBMMJDZJVOS-DEOSSOPVSA-N | COc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1 |
Estrone | (8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one | 5870 | DNXHEGUUPJUMQT-CBZIJGRNSA-N | CC12CCC3c4ccc(O)cc4CCC3C1CCC2=O |
Estropipate | piperazine;sulfuric acid [(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester | 5284555 | HZEQBCVBILBTEP-ZFINNJDLSA-N | C1CNCCN1.CC12CCC3c4ccc(OS(=O)(=O)O)cc4CCC3C1CCC2=O |
Ethinylestradiol | (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol | 5991 | BFPYWIDHMRZLRN-SLHNCBLASA-N | C#CC1(O)CCC2C3CCc4cc(O)ccc4C3CCC21C |
Ethionamide | 2-ethyl-4-pyridinecarbothioamide | 2761171 | AEOCXXJPGCBFJA-UHFFFAOYSA-N | CCc1cc(C(N)=S)ccn1 |
Etoposide | (5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one | 36462 | VJJPUSNTGOMMGY-MRVIYFEKSA-N | COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O |
Famotidine | 3-[[2-(diaminomethylideneamino)-4-thiazolyl]methylthio]-N'-sulfamoylpropanimidamide | 5702160 | XUFQPHANEAPEMJ-UHFFFAOYSA-N | NC(N)=Nc1nc(CSCCC(N)=NS(N)(=O)=O)cs1 |
Felbamate | carbamic acid (3-carbamoyloxy-2-phenylpropyl) ester | 3331 | WKGXYQFOCVYPAC-UHFFFAOYSA-N | NC(=O)OCC(COC(N)=O)c1ccccc1 |
Felodipine | 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester | 3333 | RZTAMFZIAATZDJ-UHFFFAOYSA-N | CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl |
Almotriptan | N,N-dimethyl-2-[5-(1-pyrrolidinylsulfonylmethyl)-1H-indol-3-yl]ethanamine | 123606 | WKEMJKQOLOHJLZ-UHFFFAOYSA-N | CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12 |
Fenoprofen calcium | 2-(3-phenoxyphenyl)propanoic acid | 3342 | RDJGLLICXDHJDY-UHFFFAOYSA-N | CC(C(=O)O)c1cccc(Oc2ccccc2)c1 |
Fingolimod | 2-amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol | 107970 | KKGQTZUTZRNORY-UHFFFAOYSA-N | CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 |
FlavoxateВ·HCl | 3-methyl-4-oxo-2-phenyl-1-benzopyran-8-carboxylic acid 2-(1-piperidinyl)ethyl ester | 3354 | SPIUTQOUKAMGCX-UHFFFAOYSA-N | Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O |
Flecainide acetate | N-(2-piperidinylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide | 3356 | DJBNUMBKLMJRSA-UHFFFAOYSA-N | O=C(NCC1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F |
Flurbiprofen | 2-(3-fluoro-4-phenylphenyl)propanoic acid | 3394 | SYTBZMRGLBWNTM-UHFFFAOYSA-N | CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1 |
FluvastatinВ·Na | (E,3R,5S)-7-[3-(4-fluorophenyl)-1-propan-2-yl-2-indolyl]-3,5-dihydroxy-6-heptenoic acid | 446155 | FJLGEFLZQAZZCD-MCBHFWOFSA-N | CC(C)n1c(C=CC(O)CC(O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21 |
Formoterol | N-[2-hydroxy-5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenyl]formamide | 3410 | BPZSYCZIITTYBL-UHFFFAOYSA-N | COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1 |
FosinoprilВ·Na | (2S,4S)-4-cyclohexyl-1-[2-[[2-methyl-1-(1-oxopropoxy)propoxy]-(4-phenylbutyl)phosphoryl]-1-oxoethyl]-2-pyrrolidinecarboxylic acid | 55891 | BIDNLKIUORFRQP-FKDWWROVSA-N | CCC(=O)OC(OP(=O)(CCCCc1ccccc1)CC(=O)N1CC(C2CCCCC2)CC1C(=O)O)C(C)C |
Furosemide | 4-chloro-2-(2-furanylmethylamino)-5-sulfamoylbenzoic acid | 3440 | ZZUFCTLCJUWOSV-UHFFFAOYSA-N | NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl |
Gabapentin | 2-[1-(aminomethyl)cyclohexyl]acetic acid | 3446 | UGJMXCAKCUNAIE-UHFFFAOYSA-N | NCC1(CC(=O)O)CCCCC1 |