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Substance Name: Actodigin [USAN:INN]
RN: 36983-69-4
UNII: 9E4KL95FK9
InChIKey: ACLJAFRNPZVVIW-ADFGDECNSA-N

Classification Code

  • Cardiotonic

Molecular Formula

  • C29-H44-O9

Molecular Weight

  • 536.6576
 
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Names and Synonyms

Name of Substance

  • Actodigin
  • Actodigin [USAN:INN]

Synonyms

  • 3-O-(beta-D-Glucopyranosyl)digitoxigenin
  • 3beta-(beta-D-Glucopyranosyloxy)-14,23-dihydroxy-24-nor-5beta,14beta-chol-20(22)-en-21-oic acid gamma-lactone
  • Actodigin
  • Actodigine
  • Actodigine [INN-French]
  • Actodigino
  • Actodigino [INN-Spanish]
  • Actodiginum
  • Actodiginum [INN-Latin]
  • AY 22241
  • AY-22,241
  • NSC 53396
  • UNII-9E4KL95FK9

Systematic Name

  • 24-Nor-5,14-chol-20(22)-en-21-oic acid, 3-(beta-D-glucopyranosyloxy)-14,23-dihydroxy-, gamma-lactone, (3beta,5beta,14beta)-

Registry Numbers

CAS Registry Number

  • 36983-69-4

FDA UNII

  • 9E4KL95FK9

System Generated Number

  • 0036983694

Structure Descriptors

InChI

1S/C29H44O9/c1-27-9-5-16(37-26-24(33)23(32)22(31)21(14-30)38-26)13-15(27)3-4-20-19(27)6-10-28(2)18(7-11-29(20,28)35)17-8-12-36-25(17)34/h8,15-16,18-24,26,30-33,35H,3-7,9-14H2,1-2H3/t15-,16+,18-,19+,20-,21-,22-,23+,24-,26-,27+,28-,29+/m1/s1

InChIKey

ACLJAFRNPZVVIW-ADFGDECNSA-N

Smiles

C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4(C)[C@H](CC[C@]34O)C5=CCOC5=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O