AC1L4VHF
1-[(1R)-1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-butan-2-ylsulfanylpropan-2-ol;dihydrochloride
Also Known As: KST-1B3090|Emetine, 2'-(3-(sec-butylthio)-2-hydroxypropyl)-, dihydrochloride|2H-Benzo(a)quinolizine, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-(2-hydroxy-3-(1-methylpropylthio)propyl)-1-isoquinolyl)methyl)-, dihydrochloride, trihydrate|2-Propanol, 1-((1-methylpropyl)thio)-3-(6',7',10,11-tetramethoxyemetan-2'-yl)-, 2HCl|1-(butan-2-ylsulfanyl)-3-(6',7',10,11-tetramethoxyemetan-2'-yl)propan-2-ol dihydrochloride|Emetine, 2'-[3-(sec-butylthio)-2-hydroxypropyl]-, dihydrochloride|1-[(1R)-1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-butan-2-ylsulfanylpropan-2-ol dihydrochloride|1-[(Butan-2-yl)sulfanyl]-3-(6',7',10,11-tetramethoxyemetan-2'-yl)propan-2-ol--hydrogen chloride (1/2)
| Molecular Formula | C36H56Cl2N2O5S |
|---|---|
| Molecular Weight | 698.3287 g/mol |
| LogP | 7.392 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 698.3287 |
| Monoisotopic Mass | 698.3287 |
| Heavy Atoms | 46 |
| Complexity | 868.0 |
Chemical Identifiers
| CAS Number | 32550-44-0 |
|---|---|
| SMILES | CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4CC(CSC(C)CC)O)OC)OC)OC)OC.Cl.Cl |
| InChIKey | NCTCEOOVAPFZNB-IKLKEEFHSA-N |
Product Overview
AC1L4VHF (CAS 32550-44-0), with molecular formula C36H56Cl2N2O5S and molecular weight 698.3287 g/mol. IUPAC: 1-[(1R)-1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-butan-2-ylsulfanylpropan-2-ol;dihydrochloride.