Capaurine
From DrugPedia: A Wikipedia for Drug discovery
Revision as of 00:00, 15 January 2001 by Special:Contributions/ (Talk)
| Capaurine
| |
| Systematic (IUPAC) name | |
| (13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-1-ol | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C21H25NO5 |
| Mol. mass | 371.4269 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Description
from root tubers of Stephania kwangsiensis H.S. Lo; RN given refers to (S)-isomer
General Properties
*Molecular Weight
371.4269
*Molecular Formula
C21H25NO5
*IUPAC NAME
(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-1-ol
*Canonical Smiles
COC1=C(C2=C(CC3C4=C(C(=C(C=C4CCN3C2)OC)OC)O)C=C1)OC
*Isomeric Smiles
COC1=C(C2=C(C[C@H]3C4=C(C(=C(C=C4CCN3C2)OC)OC)O)C=C1)OC
*XLogP
2
*Topological Polar Surface Area
60.4
