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Substance Name: Emetine, dihydrobromide (+-)-
RN: 13903-43-0
InChIKey: YLESEPCUQJKIPQ-JLXBEYCHSA-N

Molecular Formula

  • C29-H40-N2-O4.2Br-H

Molecular Weight

  • 642.469
 
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Names and Synonyms

Synonyms

  • (+-)-Emetine dihydrobromide
  • 3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-((1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolinyl)methyl)-2H-benzo(a)quinolizine dihydrobromide, (2alpha(S*),3beta,11bbeta)-
  • Dihydrobromide (+-)emetine
  • EINECS 237-674-2
  • Emetan, 6',7',10,11-tetramethoxy-, dihydrobromide, (+-)-

Systematic Names

  • 2H-Benzo(a)quinolizine, 3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-((1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolinyl)methyl)-, dihydrobromide, (2alpha(S*),3beta,11bbeta)-
  • Emetan, 6',7',10,11-tetramethoxy-, dihydrobromide, (1)-
  • Emetine, dihydrobromide (+-)-

Registry Numbers

CAS Registry Number

  • 13903-43-0

System Generated Number

  • 0013903430

Molecular Formulas

Molecular Formula

  • C29-H40-N2-O4.2Br-H

Molecular Formula Fragments

  • Br-H
  • C29-H40-N2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C29H40N2O4.2BrH/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24;;/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3;2*1H/t18-,21-,24?,25-;;/m0../s1

InChIKey

YLESEPCUQJKIPQ-JLXBEYCHSA-N

Smiles

c12[C@@H]3C[C@@H]([C@H](C[N@@]3CCc2cc(c(c1)OC)OC)CC)C[C@@H]1NCCc2cc(c(cc12)OC)OC.Br.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 50mg/kg (50mg/kg)   Fortschritte der Arzneimittelforschung. Progress in Drug Research. Vol. 17, Pg. 108, 1973.
rat LD50 subcutaneous 700mg/kg (700mg/kg)   Fortschritte der Arzneimittelforschung. Progress in Drug Research. Vol. 17, Pg. 108, 1973.