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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-hydroxy-3-morpholinopropyl)-1-isoquinolyl)methyl)-, trihydrochloride
RN: 26988-01-2
InChIKey: ASFLUPGQDLVPJI-VWEMNHGVSA-N

Molecular Formula

  • C36-H53-N3-O6.3Cl-H

Molecular Weight

  • 733.212
 
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Names and Synonyms

Synonym

  • 2-Propanol, 1-(4-morpholinyl)-3-(6',7',10,11-tetramethoxyemetan-2'-yl)-, trihydrochloride

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-hydroxy-3-morpholinopropyl)-1-isoquinolyl)methyl)-, trihydrochloride
  • Emetine, 2'-(2-hydroxy-3-morpholinopropyl)-, trihydrochloride (8CI)

Registry Numbers

CAS Registry Number

  • 26988-01-2

System Generated Number

  • 0026988012

Molecular Formulas

Molecular Formula

  • C36-H53-N3-O6.3Cl-H

Molecular Formula Fragments

  • C36-H53-N3-O6
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C36H53N3O6.3ClH/c1-6-24-21-38-9-7-25-17-33(41-2)35(43-4)19-29(25)31(38)15-27(24)16-32-30-20-36(44-5)34(42-3)18-26(30)8-10-39(32)23-28(40)22-37-11-13-45-14-12-37;;;/h17-20,24,27-28,31-32,40H,6-16,21-23H2,1-5H3;3*1H/t24-,27+,28?,31-,32+;;;/m0.../s1

InChIKey

ASFLUPGQDLVPJI-VWEMNHGVSA-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)CN3CCOCC3)CCc1cc(c(OC)c2)OC.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 28mg/kg (28mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 255, 1971.