(+)-Emetine dihydrochloride hydrate
(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;hydrate;dihydrochloride
Also Known As: Emetine dihydrochloride hydrate|Emetine hydrochloride hydrate|EMETINE|(+)-Emetine dihydrochloride hydrate|Emetine, dihydrochloride, hydrate|EMETINE DIHYDROCHLORIDE|emetine (dihydrochloride hydrate)|Emetinedihydrochloridehydrate|NIOSH/JY4675000|NIOSH/JY4675020|NIOSH/JY4675040|HY-B1479B|emetine dihydrochloride monohydrate|(-)-Emetine dihydrochloride hydrate|HB7389|(+-)-Emetine dihydrochloride hydrate|EMETINE HYDRATE DIHYDROCHLORIDE|CS-5994|Emetan, 6',7',10,11-tetramethoxy-, dihydrochloride, hydrate|(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;hydrate;dihydrochloride|3,4-difluoro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide|(+-)-6',7',10,11-Tetramethoxyemetan dihydrochloride hydrate|(-)-6',7',10,11-Tetramethoxyemetan dihydrochloride hydrate|(2S)-6',7',10,11-tetramethoxyemetan dihydrochloride hydrate|(2S,3R,11bS)-2-(((R)-6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)-3-ethyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline dihydrochloride hydrate|2-[(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;hydrate;dihydrochloride
| Molecular Formula | C29H44Cl2N2O5 |
|---|---|
| Molecular Weight | 570.26276 g/mol |
| LogP | 4.9623 |
| Topological Polar Surface Area | 53.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 570.26276 |
| Monoisotopic Mass | 570.26276 |
| Heavy Atoms | 38 |
| Complexity | 679.0 |
Chemical Identifiers
| CAS Number | 313222-96-7 |
|---|---|
| SMILES | CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC.O.Cl.Cl |
| InChIKey | IZTPMTAWOCEKKM-VXMYZLRESA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(+)-Emetine dihydrochloride hydrate (CAS 313222-96-7), with molecular formula C29H44Cl2N2O5 and molecular weight 570.26276 g/mol. IUPAC: (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;hydrate;dihydrochloride.