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Substance Name: 5-beta-Card-20(22)-enolide, 3-beta,14-dihydroxy-, 3-(2-aminopropionate) (ester), D-
RN: 81130-95-2
InChIKey: WNXQKMQRLMCQAB-SNRKHKAVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H35-N-O5

Molecular Weight

  • 445.5961
 
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Names and Synonyms

Synonyms

  • 3-beta,14-Dihydroxy-5-beta-card-20(22)-enolide 3-ester with D-alanine
  • Digitoxigenin-3-beta-D-alanyl ester

Systematic Name

  • 5-beta-Card-20(22)-enolide, 3-beta,14-dihydroxy-, 3-(2-aminopropionate) (ester), D-

Registry Numbers

CAS Registry Number

  • 81130-95-2

System Generated Number

  • 0081130952

Structure Descriptors

InChI

1S/C26H39NO5/c1-15(27)23(30)32-26-11-8-19(16-12-22(29)31-14-16)25(26,3)10-7-20-21(26)5-4-17-13-18(28)6-9-24(17,20)2/h12,15,17-21,28H,4-11,13-14,27H2,1-3H3/t15-,17?,18?,19-,20+,21-,24+,25-,26?/m1/s1

InChIKey

WNXQKMQRLMCQAB-SNRKHKAVSA-N

Smiles

C[C@H](C(=O)OC12CC[C@@H]([C@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CCC(C4)O)C)C)C5=CC(=O)OC5)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 665ug/kg (0.665mg/kg)   Farmaco, Edizione Scientifica. Vol. 36, Pg. 971, 1981.