O-(4-ethoxybutyl)berbamine
From DrugPedia: A Wikipedia for Drug discovery
Revision as of 00:00, 15 January 2001 by Special:Contributions/ (Talk)
| O-(4-ethoxybutyl)berbamine
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C43H52N2O7 |
| Mol. mass | 708.88218 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Description
structure given in first source; calmodulin antagonist
General Properties
*Molecular Weight
708.88218
*Molecular Formula
C43H52N2O7
*IUPAC NAME
N/A
*Canonical Smiles
CCOCCCCOC1=C2C=C(CC3C4=C(C(=C(C=C4CCN3C)OC)OC)OC5=C(C=C6CCN(C(C6=C5)CC7=CC=C(O2)C=C7)C)OC)C=C1
*Isomeric Smiles
CCOCCCCOC1=C2C=C(C[C@@H]3C4=C(C(=C(C=C4CCN3C)OC)OC)OC5=C(C=C6CCN([C@H](C6=C5)CC7=CC=C(O2)C=C7)C)OC)C=C1
*XLogP
6.4
*Topological Polar Surface Area
71.1
