Roemerine
From DrugPedia: A Wikipedia for Drug discovery
| Roemerine
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C18H17NO2 |
| Mol. mass | 279.33308 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
[edit] Description
from root tubers of Stephania kwangsiensis H.S. Lo; RN given refers to (R)-isomer; synonym aporeine refers to (S)-isomer; structure in Merck Index, 9th ed, #779
(-)-roemerine, isolated from the leaves of Annona senegalensis, was found to enhance the cytotoxic response mediated by vinblastine with multidrug-resistant KB-V1 cells.
[edit] General Properties
*Molecular Weight
279.33308
*Molecular Formula
C18H17NO2
*IUPAC NAME
N/A
*Canonical Smiles
CN1CCC2=CC3=C(C4=C2C1CC5=CC=CC=C54)OCO3
*Isomeric Smiles
CN1CCC2=CC3=C(C4=C2[C@H]1CC5=CC=CC=C54)OCO3
*XLogP
3.3
*Topological Polar Surface Area
21.7
