Protoemetine
2-[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]acetaldehyde
Also Known As: Protoemetine|(-)-Protoemetine|2-[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]acetaldehyde|(2R)-3beta-Ethyl-1,3,4,6,7,11bbeta-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizine-2alpha-acetaldehyde|(2R)-3beta-Ethyl-9,10-dimethoxy-1,3,4,6,7,11bbeta-hexahydro-2H-benzo[a]quinolizine-2alpha-acetaldehyde|(2R,3R,11bS)-3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo(a)quinolizine-2-acetaldehyde|[(2R,3R,11bS)-3-Ethyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-yl]acetaldehyde|2-((2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo(a)quinolizin-2-yl)acetaldehyde|2-[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-1H,2H,3H,4H,6H,7H,11bH-pyrido[2,1-a]isoquinolin-2-yl]acetaldehyde
| Molecular Formula | C19H27NO3 |
|---|---|
| Molecular Weight | 317.1991 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.1991 |
| Monoisotopic Mass | 317.1991 |
| Heavy Atoms | 23 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 549-91-7 |
|---|---|
| SMILES | CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1CC=O)OC)OC |
| InChIKey | BBVFHYCHEWCGBH-ZQIUZPCESA-N |
Product Overview
Protoemetine (CAS 549-91-7), with molecular formula C19H27NO3 and molecular weight 317.1991 g/mol. IUPAC: 2-[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]acetaldehyde.