Fangchinoline
From DrugPedia: A Wikipedia for Drug discovery
(Difference between revisions)
Revision as of 00:00, 15 January 2001
| Fangchinoline
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C37H40N2O6 |
| Mol. mass | 608.7233 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Description
RN given refers to parent cpd; limacine is the (1'beta)-isomer; 7-O-demethyltetrandrine is the (1S,1'S)-isomer
General Properties
*Molecular Weight
608.7233
*Molecular Formula
C37H40N2O6
*IUPAC NAME
N/A
*Canonical Smiles
CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)O)OC)OC
*Isomeric Smiles
CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)O)OC)OC
*XLogP
5.4
*Topological Polar Surface Area
72.9
