Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Digitoxigenin 3-acetate
RN: 808-19-5
UNII: 1HY0Q0QZ61
InChIKey: WJOGTCZNZPHODB-WQFRYHCKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H36-O5

Molecular Weight

  • 416.5544
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • Digitoxigenin 3-acetate

Name of Substance

  • 3-Acetyldigitoxigenin

Synonyms

  • 3-Acetyldigitoxigenin
  • 3-O-Acetyldigitoxigenin
  • 4-18-00-01472 (Beilstein Handbook Reference)
  • BRN 0097888
  • Card-20(22)-enolide, 3-(acetyloxy)-14-hydroxy-, (3-beta,5-beta)-
  • Digitoxigenin acetate
  • Digitoxigenin-3-acetate
  • EINECS 212-363-4
  • UNII-1HY0Q0QZ61

Systematic Names

  • 3-beta-Acetoxy-14-hydroxy-5-beta,14-beta-card-20(22)-enolide
  • 5-beta-Card-20(22)-enolide, 3-beta,14-dihydroxy-, 3-acetate

Registry Numbers

CAS Registry Number

  • 808-19-5

FDA UNII

  • 1HY0Q0QZ61

System Generated Number

  • 0000808195

Structure Descriptors

InChI

1S/C25H36O5/c1-15(26)30-18-6-9-23(2)17(13-18)4-5-21-20(23)7-10-24(3)19(8-11-25(21,24)28)16-12-22(27)29-14-16/h12,17-21,28H,4-11,13-14H2,1-3H3/t17-,18+,19-,20+,21-,23+,24-,25+/m1/s1

InChIKey

WJOGTCZNZPHODB-WQFRYHCKSA-N

Smiles

CC(=O)O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 645ug/kg (0.645mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 1258, 1975.
guinea pig LDLo intravenous 6120ug/kg (6.12mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 18, Pg. 311, 1962.
pigeon LDLo parenteral 1870ug/kg (1.87mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 8, Pg. 18, 1960.