Methotrexate
| Type: | Approved drug |
| PubChem: | 126941 |
| DrugBank: | DB00563 |
| IUPAC: | (2S)-2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid |
| Standard InChI: | InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1 |
| Standard InChIKey: | FBOZXECLQNJBKD-ZDUSSCGKSA-N |
| SMILES: | CN(CC1=CN=C2N=C(N)N=C(N)C2=N1)C1=CC=C(C(=O)NC(CCC(=O)O)C(=O)O)C=C1 |
| Metabolism-related information: | No data |
| Reference: | No data |
