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-(6-chloro-o-tolyl)amino-2-hydroxy)propyl-1-isoquinolyl)methyl)-, trihydrochloride
RN: 30902-23-9
InChIKey: LPWMLHRNEVEHOH-KXJPZNHBSA-N

Molecular Formula

  • C39-H52-Cl-N3-O5.3Cl-H

Molecular Weight

  • 787.692
 
* 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

  • 2-Propanol, 1-((2-chloro-6-methylphenyl)amino)-3-(6',7',10,11-tetramethoxyemetan-2'-yl)-, 3HC

Systematic Names

  • 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-(6-chloro-o-tolyl)amino-2-hydroxy)propyl-1-isoquinolyl)methyl)-, trihydrochloride
  • Emetine, 2'-(3-(6-chloro-o-toluidino)-2-hydroxypropyl)-, trihydrochloride (8CI)

Registry Numbers

CAS Registry Number

  • 30902-23-9

System Generated Number

  • 0030902239

Molecular Formulas

Molecular Formula

  • C39-H52-Cl-N3-O5.3Cl-H

Molecular Formula Fragments

  • C39-H52-Cl-N3-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C39H52ClN3O5.3ClH/c1-7-25-22-42-13-11-26-17-35(45-3)37(47-5)19-30(26)33(42)15-28(25)16-34-31-20-38(48-6)36(46-4)18-27(31)12-14-43(34)23-29(44)21-41-39-24(2)9-8-10-32(39)40;;;/h8-10,17-20,25,28-29,33-34,41,44H,7,11-16,21-23H2,1-6H3;3*1H/t25-,28+,29?,33-,34+;;;/m0.../s1

InChIKey

LPWMLHRNEVEHOH-KXJPZNHBSA-N

Smiles

C([C@@H]1[C@@H](C[C@@H]2[N@@](CCc3c2cc(c(c3)OC)OC)C[C@@H](O)CNc2c(cccc2Cl)C)C[C@@H]2[N@@](C1)CCc1c2cc(c(c1)OC)OC)C.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 18mg/kg (18mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 255, 1971.