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Substance Name: Desacetylcinobufagin
RN: 4026-95-3
InChIKey: IXZHDDUFQVXHIL-MBMNNJAJSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H32-O5

Molecular Weight

  • 400.512
 
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Names and Synonyms

Results Name

  • Desacetylcinobufagin

Synonyms

  • 3-beta,16-beta-Dihydroxy-14,15-beta-epoxy-5-beta-bufa-20,22-dienolide
  • Cinobufagin, deacetyl- (6CI)
  • Deacetylcinobufagin
  • Desacetylcinobufagin
  • NSC 234203

Systematic Names

  • 5-beta-Bufa-20,22-dienolide, 3-beta,16-beta-dihydroxy-14,15-beta-epoxy-
  • 5beta-Bufa-20,22-dienolide, 14,15beta-epoxy-3beta,16beta-dihydroxy- (8CI)
  • Bufa-20,22-dienolide, 14,15-epoxy-3,16-dihydroxy-, (3beta,5beta,15beta,16beta)- (9CI)

Registry Numbers

CAS Registry Number

  • 4026-95-3

System Generated Number

  • 0004026953

Structure Descriptors

InChI

1S/C24H32O5/c1-22-9-7-15(25)11-14(22)4-5-17-16(22)8-10-23(2)19(13-3-6-18(26)28-12-13)20(27)21-24(17,23)29-21/h3,6,12,14-17,19-21,25,27H,4-5,7-11H2,1-2H3/t14-,15+,16?,17?,19+,20-,21-,22+,23-,24-/m1/s1

InChIKey

IXZHDDUFQVXHIL-MBMNNJAJSA-N

Smiles

O1[C@]23[C@H]1[C@H](O)[C@@H]([C@@]2(CC[C@@H]1[C@@H]3CC[C@H]2[C@@]1(CC[C@@H](C2)O)C)C)c1ccc(=O)oc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 4415ug/kg (4.415mg/kg)   Journal of Medicinal and Pharmaceutical Chemistry. Vol. 3, Pg. 111, 1961.
mouse LD50 intravenous 15ug/kg (0.015mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ANTIPSYCHOTIC

BEHAVIORAL: TREMOR
Chemical and Pharmaceutical Bulletin. Vol. 24, Pg. 1714, 1976.