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Substance Name: Digitoxigenon
RN: 1102-88-1
InChIKey: REJBTXQSIQFRRE-XZBQRBHSSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H32-O4

Molecular Weight

  • 372.5018
 
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Names and Synonyms

Name of Substance

  • Digitoxigenon

Synonyms

  • 14-Hydroxy-3-oxo-5-beta-card-20(22)-enolide
  • 3-Dehydrodigitoxigenin
  • 3-Digitoxigenone
  • 3-Ketodigitoxigenin
  • 3-Oxodigitoxigenin
  • Card-20(22)-enolide, 14-hydroxy-3-oxo-, (5-beta)-
  • Digitoxigenon
  • Digitoxigenone
  • EINECS 214-159-0

Systematic Names

  • (5beta)-14-Hydroxy-3-oxocard-20(22)-enolide
  • 5-beta-Card-20(22)-enolide, 14-hydroxy-3-oxo-

Registry Numbers

CAS Registry Number

  • 1102-88-1

System Generated Number

  • 0001102881

Structure Descriptors

InChI

1S/C23H32O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15,17-19,26H,3-10,12-13H2,1-2H3/t15-,17-,18+,19-,21+,22-,23+/m1/s1

InChIKey

REJBTXQSIQFRRE-XZBQRBHSSA-N

Smiles

C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 1860ug/kg (1.86mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 18, Pg. 311, 1962.
guinea pig LDLo intravenous 6410ug/kg (6.41mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 18, Pg. 311, 1962.
pigeon LDLo parenteral 3210ug/kg (3.21mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 8, Pg. 18, 1960.