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Substance 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-(p-methylthiophenoxy)propyl)-1-isoquinolyl)methyl)-, dihydrochloride
RN: 26988-05-6
InChIKey: BBYAIGVWQYSAQX-CFMRXITCSA-N

Molecular Formula

  • C39-H52-N2-O6-S.2Cl-H

Molecular Weight

  • 749.836
 
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Names and Synonyms

Synonyms

  • 2-Propanol, 1-((4-methylthio)phenoxy)-3-(6',7',10,11-tetramethoxyemetan-2'-yl)-, hydrochloride
  • Emetine, 2'-(2-hydroxy-3-(p-(methylthio)phenoxy)propyl)-, dihydrochloride

Systematic 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-(p-methylthiophenoxy)propyl)-1-isoquinolyl)methyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 26988-05-6

System Generated Number

  • 0026988056

Molecular Formulas

Molecular Formula

  • C39-H52-N2-O6-S.2Cl-H

Molecular Formula Fragments

  • C39-H52-N2-O6-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C39H52N2O6S.2ClH/c1-7-25-22-40-14-12-26-18-36(43-2)38(45-4)20-32(26)34(40)16-28(25)17-35-33-21-39(46-5)37(44-3)19-27(33)13-15-41(35)23-29(42)24-47-30-8-10-31(48-6)11-9-30;;/h8-11,18-21,25,28-29,34-35,42H,7,12-17,22-24H2,1-6H3;2*1H/t25-,28+,29?,34-,35+;;/m0../s1

InChIKey

BBYAIGVWQYSAQX-CFMRXITCSA-N

Smiles

c12[C@@H](C[C@@H]3[C@H](C[N@@]4[C@@H](c5cc(OC)c(cc5CC4)OC)C3)CC)[N@@](C[C@@H](O)COc3ccc(cc3)SC)CCc1cc(c(c2)OC)OC.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 34mg/kg (34mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 255, 1971.