Voacangarine
methyl (1S,15R,17S,18S)-17-[(1S)-1-hydroxyethyl]-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
Also Known As: Voacristine|Voacangarine|(-)-Voacangarine|(?)-Voacangarine|COACRISTINE|TN7544|methyl (1S,15R,17S,18S)-17-[(1S)-1-hydroxyethyl]-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate|Ibogamine-18-carboxylic acid, 20-hydroxy-12-methoxy-, methyl ester, (20S)-|(20S)-20-Hydroxy-12-methoxyibogamine-18-carboxylic acid methyl ester|methyl (1S,15R,17S,18S)-17-[(1S)-1-hydroxyethyl]-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
| Molecular Formula | C22H28N2O4 |
|---|---|
| Molecular Weight | 384.2049 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.2049 |
| Monoisotopic Mass | 384.2049 |
| Heavy Atoms | 28 |
| Complexity | 630.0 |
Chemical Identifiers
| CAS Number | 545-84-6 |
|---|---|
| SMILES | C[C@@H]([C@H]1C[C@@H]2C[C@@]3([C@H]1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC)C(=O)OC)O |
| InChIKey | OYMQKBZMKFJPMH-VJMPXSKLSA-N |
Product Overview
Voacangarine (CAS 545-84-6), with molecular formula C22H28N2O4 and molecular weight 384.2049 g/mol. IUPAC: methyl (1S,15R,17S,18S)-17-[(1S)-1-hydroxyethyl]-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate.