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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-hydroxypropyl)-1-isoquinolyl)methyl)-, dihydrochloride, isopropanol
RN: 26987-99-5
InChIKey: FHKRHRPNXOWQRE-GUMULLNVSA-N

Molecular Formula

  • C32-H46-N2-O5.2Cl-H

Molecular Weight

  • 611.646
 
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Names and Synonyms

Synonyms

  • 2'-(2-Hydroxypropyl)emetine dihydrochloride
  • 2-Propanol, 1-(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-(2-hydroxypropyl)-1-isoquinolyl)methyl)-, dihydrochloride, isopropanol
  • Emetine, 2'-(2-hydroxypropyl)-, dihydrochloride (8CI)

Registry Numbers

CAS Registry Number

  • 26987-99-5

System Generated Number

  • 0026987995

Molecular Formulas

Molecular Formula

  • C32-H46-N2-O5.2Cl-H

Molecular Formula Fragments

  • C32-H46-N2-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C32H46N2O5.2ClH/c1-7-21-19-34-11-9-23-15-30(37-4)32(39-6)17-26(23)28(34)13-24(21)12-27-25-16-31(38-5)29(36-3)14-22(25)8-10-33(27)18-20(2)35;;/h14-17,20-21,24,27-28,35H,7-13,18-19H2,1-6H3;2*1H/t20?,21-,24-,27+,28-;;/m0../s1

InChIKey

FHKRHRPNXOWQRE-GUMULLNVSA-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)C)CCc1cc(c(c2)OC)OC.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 35mg/kg (35mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 255, 1971.