Cephaeline dihydrochloride heptahydrate

(1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol;heptahydrate;dihydrochloride

Also Known As: Cephaeline dihydrochloride heptahydrate|Prestwick_784|Cephaeline, dihydrochloride, heptahydrate|CEPHAELINE DIHYDROCHLORIDE HEPTAHYDRATE [MI]|DESMETHYLEMETINE DIHYDROCHLORIDE HEPTAHYDRATE|Emetan-6'-ol, 7',10,11-trimethoxy-, dihydrochloride, heptahydrate|(1R)-1-(((2S,3R,11BS)-3-ETHYL-1,3,4,6,7,11B-HEXAHYDRO-9,10-DIMETHOXY-2H-BENZO(A)QUINOLIZIN-2-YL)METHYL)-1,2,3,4-TETRAHYDRO-7-METHOXY-6-ISOQUINOLINOL DIHYDROCHLORIDE HEPTAHYDRATE|(1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol;heptahydrate;dihydrochloride|7',10,11-Trimethoxyemetan-6'-ol--hydrogen chloride--water (1/2/7)|(1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol heptahydrate dihydrochloride

Molecular Formula	C28H54Cl2N2O11
Molecular Weight	664.3105 g/mol
LogP	-0.2889
Topological Polar Surface Area	283.69 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	664.3105
Monoisotopic Mass	664.3105
Heavy Atoms	43
Complexity	1067.8535

Chemical Identifiers

CAS Number	6487-30-5
SMILES	CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)O)OC)OC)OC.O.O.O.O.O.O.O.Cl.Cl