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Substance Name: Arenobufagin
RN: 464-74-4
InChIKey: JGDCRWYOMWSTFC-AZGSIFHYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H32-O6

Molecular Weight

  • 416.5108
 
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Names and Synonyms

Name of Substance

  • Arenobufagin

Synonyms

  • 12-Oxo-3-beta,11-alpha,14-trihydroxy-5-beta-bufa-20,22-dienolide
  • Arenobufagin

Systematic Names

  • 5-beta-Bufa-20,22-dienolide, 12-oxo-3-beta,11-alpha,14-trihydroxy-
  • Bufa-20,22-dienolide, 3,11,14-trihydroxy-12-oxo- (3-beta,5-beta,11-alpha)-

Registry Numbers

CAS Registry Number

  • 464-74-4

System Generated Number

  • 0000464744

Structure Descriptors

InChI

1S/C24H32O6/c1-22-9-7-15(25)11-14(22)4-5-17-19(22)20(27)21(28)23(2)16(8-10-24(17,23)29)13-3-6-18(26)30-12-13/h3,6,12,14-17,19-20,25,27,29H,4-5,7-11H2,1-2H3/t14-,15+,16-,17-,19-,20+,22+,23+,24+/m1/s1

InChIKey

JGDCRWYOMWSTFC-AZGSIFHYSA-N

Smiles

C1([C@@]2([C@@]([C@@H]3[C@@H]([C@@]4([C@@H](C[C@@H](O)CC4)CC3)C)[C@@H]1O)(CC[C@@H]2c1ccc(=O)oc1)O)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 77ug/kg (0.077mg/kg)   Journal of Medicinal and Pharmaceutical Chemistry. Vol. 3, Pg. 111, 1961.