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Substance Name: Digitoxingenin-3-beta-(3-methyl-L-alanyl) ester
RN: 81072-20-0
InChIKey: FGDUPFDTXRVJPO-LKCHKILTSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H39-N-O5

Molecular Weight

  • 459.6229
 
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Names and Synonyms

Results Name

  • Digitoxingenin-3-beta-(3-methyl-L-alanyl) ester

Synonyms

  • 3-beta,14-Dihydroxy-5-beta-card-20(22)-enolide 3-ester with-L-2-aminobutyric acid
  • Digitoxingenin-3-beta-(3-methyl-L-alanyl) ester

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 81072-20-0

System Generated Number

  • 0081072200

Structure Descriptors

InChI

1S/C27H41NO5/c1-4-22(28)24(30)33-18-7-10-25(2)17(14-18)5-6-21-20(25)8-11-26(3)19(9-12-27(21,26)31)16-13-23(29)32-15-16/h13,17-22,31H,4-12,14-15,28H2,1-3H3/t17-,18+,19-,20+,21-,22?,25+,26-,27+/m1/s1

InChIKey

FGDUPFDTXRVJPO-LKCHKILTSA-N

Smiles

CCC(C(=O)O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)C)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 1017mg/kg (1017mg/kg)   Farmaco, Edizione Scientifica. Vol. 36, Pg. 971, 1981.