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Substance Name: 2'-(2-Hydroxybutyl)emetine dihydrochloride
RN: 26987-94-0
InChIKey: KVOJPYNOLMQTST-KGCJXFAKSA-N

Molecular Formula

  • C33-H48-N2-O5.2Cl-H

Molecular Weight

  • 625.673
 
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Names and Synonyms

Results Name

  • 2'-(2-Hydroxybutyl)emetine dihydrochloride

Synonyms

  • 2'-(2-Hydroxybutyl)emetine dihydrochloride
  • 2'-(2-Hydroxybutyl)emetine HCl
  • 2-Butanol, 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-hydroxybutyl)-1-isoquinolyl)methyl)-, dihydrochloride
  • Emetine, 2'-(2-hydroxybutyl)-, dihydrochloride (8CI)

Registry Numbers

CAS Registry Number

  • 26987-94-0

System Generated Number

  • 0026987940

Molecular Formulas

Molecular Formula

  • C33-H48-N2-O5.2Cl-H

Molecular Formula Fragments

  • C33-H48-N2-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C33H48N2O5.2ClH/c1-7-21-19-34-11-9-22-15-30(37-3)32(39-5)17-26(22)28(34)13-24(21)14-29-27-18-33(40-6)31(38-4)16-23(27)10-12-35(29)20-25(36)8-2;;/h15-18,21,24-25,28-29,36H,7-14,19-20H2,1-6H3;2*1H/t21-,24+,25?,28-,29+;;/m0../s1

InChIKey

KVOJPYNOLMQTST-KGCJXFAKSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 51mg/kg (51mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 255, 1971.