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-(dipentylamino)-2-hydroxy)propyl)-1-isoquinolyl)methyl)-, trihydrochloride
RN: 27124-10-3
InChIKey: DXFWSNHLVLBLBO-VKGXSAKZSA-N

Molecular Formula

  • C42-H67-N3-O5.3Cl-H

Molecular Weight

  • 803.39
 
* 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

Synonyms

  • 2-Propanol, 1-(dipentylamino)-3-(6',7',10,11-tetramethoxyemetan-2'-yl)-, trihydrochloride
  • Emetine, 2'-(3-(dipentylamino)-2-hydroxypropyl)-, trihydrochloride

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-(dipentylamino)-2-hydroxy)propyl)-1-isoquinolyl)methyl)-, trihydrochloride

Registry Numbers

CAS Registry Number

  • 27124-10-3

System Generated Number

  • 0027124103

Molecular Formulas

Molecular Formula

  • C42-H67-N3-O5.3Cl-H

Molecular Formula Fragments

  • C42-H67-N3-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C42H67N3O5.3ClH/c1-8-11-13-17-43(18-14-12-9-2)28-34(46)29-45-20-16-32-24-40(48-5)42(50-7)26-36(32)38(45)22-33-21-37-35-25-41(49-6)39(47-4)23-31(35)15-19-44(37)27-30(33)10-3;;;/h23-26,30,33-34,37-38,46H,8-22,27-29H2,1-7H3;3*1H/t30-,33+,34?,37-,38+;;;/m0.../s1

InChIKey

DXFWSNHLVLBLBO-VKGXSAKZSA-N

Smiles

Cl.Cl.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)CN(CCCCC)CCCCC)CCc1cc(c(OC)c2)OC.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 31mg/kg (31mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 255, 1971.