 Home > Encyclopedia > 1-benzylsulfanyl-3-[(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]propan-2-ol;dihydrochloride

1-benzylsulfanyl-3-[(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]propan-2-ol;dihydrochloride

1-benzylsulfanyl-3-[(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]propan-2-ol;dihydrochloride structure

CAS No:
26987-97-3
Formula:
C39H54Cl2N2O5S
Chemical Name:
1-benzylsulfanyl-3-[(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]propan-2-ol;dihydrochloride
Synonyms:
26987-97-3;DTXSID80949761;Emetine, 2'-(3-(benzylthio)-2-hydroxypropyl)-, dihydrochloride (8CI);2-Propanol, 1-((phenylmethyl)thio)-3-(6',7',10,11-tetramethoxyemetan-2'-yl)-, 2HCl;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-benzylthio-2-hydroxypropyl)-1-isoquinolyl)methyl)-, dihydrochloride;2'-(3-(Benzylthio)-2-hydroxypropyl)emetine 2HCl;1-(Benzylsulfanyl)-3-(6',7',10,11-tetramethoxyemetan-2'-yl)propan-2-ol--hydrogen chloride (1/2)

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1-benzylsulfanyl-3-[(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]propan-2-ol;dihydrochloride Basic Attributes

Molecular Weight：

733.8 g/mol

Exact Mass：

732.3130494 g/mol

Characteristics

PSA：

88.9 Å²

Computed Properties

Molecular Weight:733.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:13
Exact Mass:732.3130494
Monoisotopic Mass:732.3130494
Topological Polar Surface Area:88.9
Heavy Atom Count:49
Complexity:939
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

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Guide of 1-benzylsulfanyl-3-[(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]propan-2-ol;dihydrochloride

Basic Attributes
Characteristics
Computed Properties

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