10-Hydroxycoronaridine
methyl (1S,15R,17S,18S)-17-ethyl-7-hydroxy-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: 10-Hydroxycoronaridine|Norvoacangine|12-O-Demethylvoacangine|Methyl 12-hydroxyibogamine-18-carboxylate|Methyl (6xi)-12-hydroxyibogamine-18-carboxylate|12-Hydroxyibogamine-18-carboxylic acid methyl ester|Ibogamine-18-carboxylic acid, 12-hydroxy-, methyl ester|Methyl (1S,15R,17S,18S)-17-ethyl-7-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate|methyl (1S,15R,17S,18S)-17-ethyl-7-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
| Molecular Formula | C21H26N2O3 |
|---|---|
| Molecular Weight | 354.19434 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.19434 |
| Monoisotopic Mass | 354.19434 |
| Heavy Atoms | 26 |
| Complexity | 584.0 |
Chemical Identifiers
| CAS Number | 76129-67-4 |
|---|---|
| SMILES | CC[C@H]1C[C@@H]2C[C@@]3([C@H]1N(C2)CCC4=C3NC5=C4C=C(C=C5)O)C(=O)OC |
| InChIKey | TUZCJNZERFWZAS-YDBSYXHISA-N |
Product Overview
10-Hydroxycoronaridine (CAS 76129-67-4), with molecular formula C21H26N2O3 and molecular weight 354.19434 g/mol. IUPAC: methyl (1S,15R,17S,18S)-17-ethyl-7-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate.