Ancistrocladine
From DrugPedia: A Wikipedia for Drug discovery
Revision as of 00:00, 15 January 2001 by Special:Contributions/ (Talk)
| Ancistrocladine
| |
| Systematic (IUPAC) name | |
| (1S,3S)-5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C25H29NO4 |
| Mol. mass | 407.50206 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Description
RN refers to (-)-stereoisomer; structure given in first source
General Properties
*Molecular Weight
407.50206
*Molecular Formula
C25H29NO4
*IUPAC NAME
(1S,3S)-5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
*Canonical Smiles
CC1CC2=C(C(=CC(=C2C(N1)C)OC)O)C3=C4C=CC=C(C4=C(C=C3C)OC)OC
*Isomeric Smiles
C[C@H]1CC2=C(C(=CC(=C2[C@@H](N1)C)OC)O)C3=C4C=CC=C(C4=C(C=C3C)OC)OC
*XLogP
5.3
*Topological Polar Surface Area
60
