Tetrahydropalmatine hydrochloride
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1412574 | |
| PubChem: | 6602555 | |
| IUPAC: | 2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline;hydrochloride | |
| Standard InChI: | InChI=1S/C21H25NO4.ClH/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4;/h5-6,10-11,17H,7-9,12H2,1-4H3;1H | |
| Standard InChI Key: | MGSZZQQRTPWMEI-UHFFFAOYSA-N | |
| SMILES: | COc1cc2CCN3C(c2cc1OC)Cc1c(C3)c(OC)c(cc1)OC.Cl | |
Molecular propeties
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| AlogP: | 3.38 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 4 | |
| Molecular Weight: | 355.18 | |
| Topological polar surface area: | 40.2 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.429 | |
| Number of carbons: | 22 | |