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Substance Name: 12-Dehydrodigoxigenin
RN: 2842-85-5
InChIKey: ZXYZKJDCZKIVKY-DKTASMHOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H32-O5

Molecular Weight

  • 388.5008
 
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Names and Synonyms

Name of Substance

  • 12-Dehydrodigoxigenin

Synonyms

  • 12-Dehydrodigoxigenin
  • 3-beta,14-Dihydroxy-12-oxo-5-beta-card-20(22)-enolide
  • BRN 1300407

Systematic Name

  • 5-beta-Card-20(22)-enolide, 3-beta,14-dihydroxy-12-oxo-

Registry Numbers

CAS Registry Number

  • 2842-85-5

System Generated Number

  • 0002842855

Structure Descriptors

InChI

1S/C23H32O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-18,24,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17-,18+,21+,22+,23+/m1/s1

InChIKey

ZXYZKJDCZKIVKY-DKTASMHOSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
pigeon LDLo parenteral 4mg/kg (4mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 8, Pg. 18, 1960.