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
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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
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CAS No:
26988-06-7
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Formula:
C36H56Cl2N2O5S
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Chemical Name:
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
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Synonyms:
26988-06-7;Emetine, 2'-(3-(sec-butylthio)-2-hydroxypropyl)-, dihydrochloride;2-Propanol, 1-((1-methylpropyl)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-(2-hydroxy-3-(1-methylpropylthio)propyl)-1-isoquinolyl)methyl)-, dihydrochloride, trihydrate;DTXSID60949769;1-[(Butan-2-yl)sulfanyl]-3-(6',7',10,11-tetramethoxyemetan-2'-yl)propan-2-ol--hydrogen chloride (1/2)
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CAS No:
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 Basic Attributes
699.8 g/mol
698.3286995 g/mol
Computed Properties
Molecular Weight:699.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:13
Exact Mass:698.3286995
Monoisotopic Mass:698.3286995
Topological Polar Surface Area:88.9
Heavy Atom Count:46
Complexity:868
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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