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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-(3-ethoxy-2-hydroxypropyl)-1-isoquinolyl)methyl)-, dihydrochloride
RN: 26988-03-4
InChIKey: KWYNNCKWGGJQDV-USAYKRQDSA-N

Molecular Formula

  • C34-H50-N2-O6.2Cl-H

Molecular Weight

  • 655.699
 
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Names and Synonyms

Synonym

  • 2-Propanol, 1-ethoxy-3-(6',7',10,11-tetramethoxyemetan-2'-yl)-, dihydrochloride

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-ethoxy-2-hydroxypropyl)-1-isoquinolyl)methyl)-, dihydrochloride
  • Emetine, 2'-(3-ethoxy-2-hydroxypropyl)-, dihydrochloride (8CI)

Registry Numbers

CAS Registry Number

  • 26988-03-4

System Generated Number

  • 0026988034

Molecular Formulas

Molecular Formula

  • C34-H50-N2-O6.2Cl-H

Molecular Formula Fragments

  • C34-H50-N2-O6
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C34H50N2O6.2ClH/c1-7-22-19-35-11-9-23-15-31(38-3)33(40-5)17-27(23)29(35)13-25(22)14-30-28-18-34(41-6)32(39-4)16-24(28)10-12-36(30)20-26(37)21-42-8-2;;/h15-18,22,25-26,29-30,37H,7-14,19-21H2,1-6H3;2*1H/t22-,25+,26?,29-,30+;;/m0../s1

InChIKey

KWYNNCKWGGJQDV-USAYKRQDSA-N

Smiles

c12cc(c(cc2CC[N@@]([C@@H]1C[C@@H]1[C@H](C[N@@]2[C@@H](c3cc(OC)c(cc3CC2)OC)C1)CC)C[C@@H](O)COCC)OC)OC.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 20mg/kg (20mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 255, 1971.