Emetamine
(2R,3R,11bS)-2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
Also Known As: Emetamine|EMETAMINE [MI]|TETRADEHYDROEMETINE|6',7',10,11-tetramethoxy-1',2',3',4'-tetradehydroemetan|(2R,3R,11bS)-2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine|1',2',3',4'-TETRADEHYDRO-6',7',10,11-TETRAMETHOXYEMETAN|EMETAN, 1',2',3',4'-TETRADEHYDRO-6',7',10,11-TETRAMETHOXY-|2H-BENZO(A)QUINOLIZINE, 2-((6,7-DIMETHOXY-1-ISOQUINOLINYL)METHYL)-3-ETHYL-1,3,4,6,7,11B-HEXAHYDRO-9,10-DIMETHOXY-, (2R,3R,11BS)-|1 ,2 ,3 ,4 -Tetradehydro-6 ,7 ,10,11-tetramethoxyemetan|1-{[(2R,3R,11BS)-3-ETHYL-9,10-DIMETHOXY-1H,2H,3H,4H,6H,7H,11BH-PYRIDO[2,1-A]ISOQUINOLIN-2-YL]METHYL}-6,7-DIMETHOXYISOQUINOLINE|2H-Benzo[a]quinolizine,2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-,(2R,3R,11bS)-
| Molecular Formula | C29H36N2O4 |
|---|---|
| Molecular Weight | 476.26752 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 476.26752 |
| Monoisotopic Mass | 476.26752 |
| Heavy Atoms | 35 |
| Complexity | 679.0 |
Chemical Identifiers
| CAS Number | 483-19-2 |
|---|---|
| SMILES | CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1CC4=NC=CC5=CC(=C(C=C54)OC)OC)OC)OC |
| InChIKey | MBYXEBXZARTUSS-HMHJJOSWSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Emetamine (CAS 483-19-2), with molecular formula C29H36N2O4 and molecular weight 476.26752 g/mol. IUPAC: (2R,3R,11bS)-2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine.