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Substance Name: 5-beta-Card-20(22)-enolide, 3-beta,14-dihydroxy-, 3-formate
RN: 1250-96-0
InChIKey: CYFZCSUWVQGZIF-ZXRSHIDQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H34-O5

Molecular Weight

  • 402.528
 
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Names and Synonyms

Synonyms

  • 3-beta,14-Dihydroxy-5-beta-card-20(22)-enolide 3-formate
  • 3-Formyl-digitoxigenin
  • Card-20(22)-enolide, 3-(formyloxy)-14-hydroxy-, (3-beta,5-beta)-
  • Digitoxigenin formate

Systematic Name

  • 5-beta-Card-20(22)-enolide, 3-beta,14-dihydroxy-, 3-formate

Registry Numbers

CAS Registry Number

  • 1250-96-0

System Generated Number

  • 0001250960

Structure Descriptors

InChI

1S/C24H34O5/c1-22-8-5-17(29-14-25)12-16(22)3-4-20-19(22)6-9-23(2)18(7-10-24(20,23)27)15-11-21(26)28-13-15/h11,14,16-20,27H,3-10,12-13H2,1-2H3/t16-,17+,18-,19?,20?,22+,23-,24+/m1/s1

InChIKey

CYFZCSUWVQGZIF-ZXRSHIDQSA-N

Smiles

C1[C@@]2([C@@H]3[C@@H]([C@@]4([C@@H](C[C@@H](OC=O)CC4)CC3)C)CC[C@@]2([C@H](C=2COC(C2)=O)C1)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo intravenous 7711ug/kg (7.711mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

CARDIAC: OTHER CHANGES		 Archives Internationales de Pharmacodynamie et de Therapie. Vol. 153, Pg. 436, 1965.
mouse LD50 oral 33630ug/kg (33.63mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

CARDIAC: OTHER CHANGES		 Archives Internationales de Pharmacodynamie et de Therapie. Vol. 153, Pg. 436, 1965.
mouse LD50 subcutaneous 16600ug/kg (16.6mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

CARDIAC: OTHER CHANGES		 Archives Internationales de Pharmacodynamie et de Therapie. Vol. 153, Pg. 436, 1965.