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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-(2-ethylhexyloxy)-2-hydroxypropyl)-1-isoquinolyl)methyl)-, dihydrochloride
RN: 26987-95-1
InChIKey: UAUAKKFIVNLMEA-KWEURZOMSA-N

Molecular Formula

  • C40-H62-N2-O6.2Cl-H

Molecular Weight

  • 739.86
 
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Names and Synonyms

Synonyms

  • 2-Propanol, 1-((2-ethylhexyl)oxy)-3-(6',7',10,11-tetramethoxyemetan-2'-yl)-, dihydrochloride
  • Emetine, 2'-(3-((2-ethylhexyl)oxy)-2-hydroxypropyl)-, dihydrochloride

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-(2-ethylhexyloxy)-2-hydroxypropyl)-1-isoquinolyl)methyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 26987-95-1

System Generated Number

  • 0026987951

Molecular Formulas

Molecular Formula

  • C40-H62-N2-O6.2Cl-H

Molecular Formula Fragments

  • C40-H62-N2-O6
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C40H62N2O6.2ClH/c1-8-11-12-27(9-2)25-48-26-32(43)24-42-16-14-30-20-38(45-5)40(47-7)22-34(30)36(42)18-31-17-35-33-21-39(46-6)37(44-4)19-29(33)13-15-41(35)23-28(31)10-3;;/h19-22,27-28,31-32,35-36,43H,8-18,23-26H2,1-7H3;2*1H/t27?,28-,31+,32?,35-,36+;;/m0../s1

InChIKey

UAUAKKFIVNLMEA-KWEURZOMSA-N

Smiles

C1[N@@]([C@H](C[C@H]2C[C@H]3c4cc(c(cc4CC[N@@]3C[C@@H]2CC)OC)OC)c2cc(c(cc2C1)OC)OC)C[C@@H](COC[C@@H](CC)CCCC)O.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 32mg/kg (32mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 255, 1971.