Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

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-(3-(3,4-dimethoxycarbaniloylmethylthio)-2-hydroxypropyl)-1-isoquinolyl)methyl)-, dihydrochloride
RN: 26987-98-4
InChIKey: ZGAFTFSIONWXNK-BICMCWAZSA-N

Molecular Formula

  • C42-H57-N3-O8-S.2Cl-H

Molecular Weight

  • 836.913
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • Emetine, 2'-(3-((((3,4-dimethoxyphenyl)carbamoyl)methyl)thio)-2-hydroxypropyl)-, 2HCL

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-(3-(3,4-dimethoxycarbaniloylmethylthio)-2-hydroxypropyl)-1-isoquinolyl)methyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 26987-98-4

System Generated Number

  • 0026987984

Molecular Formulas

Molecular Formula

  • C42-H57-N3-O8-S.2Cl-H

Molecular Formula Fragments

  • C42-H57-N3-O8-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C42H57N3O8S.2ClH/c1-8-26-22-44-13-11-27-17-37(49-3)40(52-6)20-32(27)34(44)15-29(26)16-35-33-21-41(53-7)38(50-4)18-28(33)12-14-45(35)23-31(46)24-54-25-42(47)43-30-9-10-36(48-2)39(19-30)51-5;;/h9-10,17-21,26,29,31,34-35,46H,8,11-16,22-25H2,1-7H3,(H,43,47);2*1H/t26-,29+,31?,34-,35+;;/m0../s1

InChIKey

ZGAFTFSIONWXNK-BICMCWAZSA-N

Smiles

Cl.c1c(ccc(OC)c1OC)NC(CSC[C@@H](C[N@@]1[C@H](C[C@H]2C[C@H]3c4cc(OC)c(OC)cc4CC[N@@]3C[C@@H]2CC)c2cc(c(cc2CC1)OC)OC)O)=O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 25mg/kg (25mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 255, 1971.