EMETINE
(2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
| Molecular Formula | C29H40N2O4 |
|---|---|
| Molecular Weight | 480.6 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 52.2 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 480.2988 |
| Heavy Atoms | 35 |
| Complexity | 679.0 |
Chemical Identifiers
| CAS Number | 483-18-1 |
|---|---|
| SMILES | CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC |
| InChIKey | AUVVAXYIELKVAI-CKBKHPSWSA-N |
📖 Product Overview
EMETINE (CAS: 483-18-1) is a chemical compound with molecular formula C29H40N2O4 and molecular weight 480.6 g/mol. Its IUPAC systematic name is (2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine.
AUVVAXYIELKVAI-CKBKHPSWSA-N.
SMILES: CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC.
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