AC1L4JIV

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-(2-chloro-6-methylanilino)propan-2-ol;trihydrochloride

Also Known As: KST-1B3524|Emetine, 2'-(3-(6-chloro-o-toluidino)-2-hydroxypropyl)-, trihydrochloride|1-[(2-chloro-6-methylphenyl)amino]-3-(6',7',10,11-tetramethoxyemetan-2'-yl)propan-2-ol trihydrochloride|1-(2-Chloro-6-methylanilino)-3-(6',7',10,11-tetramethoxyemetan-2'-yl)propan-2-ol--hydrogen chloride (1/3)|2-Propanol, 1-((2-chloro-6-methylphenyl)amino)-3-(6',7',10,11-tetramethoxyemetan-2'-yl)-, 3HC|2H-Benzo(a)quinolizine, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-(3-(6-chloro-o-tolyl)amino-2-hydroxy)propyl-1-isoquinolyl)methyl)-, trihydrochloride|Emetine, 2'-(3-(6-chloro-o-toluidino)-2-hydroxypropyl)-, trihydrochloride (8CI)|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-(2-chloro-6-methylanilino)propan-2-ol trihydrochloride

Molecular Formula	C39H55Cl4N3O5
Molecular Weight	785.2896 g/mol
LogP	8.35602
Topological Polar Surface Area	75.7 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	8
Rotatable Bonds	12
Exact Mass	785.2896
Monoisotopic Mass	785.2896
Heavy Atoms	51
Complexity	995.0

Chemical Identifiers

CAS Number	35727-99-2
SMILES	CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4CC(CNC6=C(C=CC=C6Cl)C)O)OC)OC)OC)OC.Cl.Cl.Cl
InChIKey	LPWMLHRNEVEHOH-KXJPZNHBSA-N