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Substance Name: Emetine bismuth iodide
RN: 8001-15-8
InChIKey: VHDMKRGRHURPJE-ZRORTGKGSA-K

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H40-N2-O4.Bi-I3

Molecular Weight

  • 1070.32
 
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Names and Synonyms

Synonyms

  • Bismuth emetine iodide
  • Bismuth, triiodo(6',7',10,11-tetramethoxyemetan)-
  • Emetine triiodobismuth(III)
  • Emetine, bismuth iodide deriv.
  • Emetine, compd. with bismuth(III) triiodide
  • NSC 44185

Systematic Name

  • Emetine bismuth iodide

Registry Numbers

CAS Registry Number

  • 8001-15-8

System Generated Number

  • 0008001158

Molecular Formulas

Molecular Formula

  • C29-H40-N2-O4.Bi-I3

Molecular Formula Fragments

  • Bi-I3
  • C29-H40-N2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C29H40N2O4.Bi.3HI/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24;;;;/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3;;3*1H/q;+3;;;/p-3/t18-,21-,24+,25-;;;;/m0..../s1

InChIKey

VHDMKRGRHURPJE-ZRORTGKGSA-K

Smiles

c12[C@H](NCCc1cc(c(OC)c2)OC)C[C@H]1C[C@H]2c3cc(c(cc3CC[N@@]2C[C@@H]1CC)OC)OC.[Bi+3].[IH-].[IH-].[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo oral 20mg/kg (20mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) American Journal of Tropical Medicine. Vol. 10, Pg. 249, 1930.
mouse LD50 intraperitoneal 126mg/kg (126mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
mouse LD50 oral 74mg/kg (74mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 16, Pg. 65, 1964.
rabbit LDLo oral 40mg/kg (40mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: NAUSEA OR VOMITING
American Journal of Tropical Medicine. Vol. 10, Pg. 249, 1930.
rat LDLo oral 11mg/kg (11mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 3, Pg. 44, 1948.