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Substance Name: delta1,4-Digitoxigenone
RN: 13328-63-7
InChIKey: ICDZNUWPLDJOTP-QZGNAIIZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H28-O4

Molecular Weight

  • 368.4702
 
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Names and Synonyms

Results Name

  • delta1,4-Digitoxigenone

Synonyms

  • 14-Hydroxy-3-oxocarda-1,4,20(22)-trienolide
  • BRN 1298204
  • delta(sup 1,4)-Digitoxigenone

Systematic Name

  • Carda-1,4,20(22)-trienolide, 14-hydroxy-3-oxo-

Registry Numbers

CAS Registry Number

  • 13328-63-7

System Generated Number

  • 0013328637

Structure Descriptors

InChI

1S/C23H28O4/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/h5,8,11-12,17-19,26H,3-4,6-7,9-10,13H2,1-2H3/t17-,18+,19-,21+,22-,23+/m1/s1

InChIKey

ICDZNUWPLDJOTP-QZGNAIIZSA-N

Smiles

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@]1(O)CC[C@@H]2C5=CC(=O)OC5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo intravenous 3240ug/kg (3.24mg/kg) CARDIAC: OTHER CHANGES British Journal of Pharmacology and Chemotherapy. Vol. 29, Pg. 280, 1967.