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Substance Name: Strophanthidin-3-isobutyrate
RN: 63979-70-4
InChIKey: RCBMTBRYPANMIT-VPIDWONZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H38-O7

Molecular Weight

  • 475.5981
 
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Names and Synonyms

Results Name

  • Strophanthidin-3-isobutyrate

Synonyms

  • (3-beta,5-beta)-5,14-Dihydroxy-3-(2-methyl-1-oxopropoxy)-19-oxocard-20(22)-enolide
  • 4-18-00-03131 (Beilstein Handbook Reference)
  • 5-beta-Card-20(22)-enolide, 19-oxo-3-beta,5,14-trihydroxy-, 3-isobutyrate
  • BRN 0066865
  • Isobutyl-k-strophanthidin
  • k-Strophanthidin, isobutyl-
  • Strophanthidin-3-isobutyrate

Systematic Name

  • Card-20(22)-enolide, 5,14-dihydroxy-3-(2-methyl-1-oxopropoxy)-19-oxo-, (3-beta,5-beta)-

Registry Numbers

CAS Registry Number

  • 63979-70-4

System Generated Number

  • 0063979704

Structure Descriptors

InChI

1S/C27H38O7.H2/c1-16(2)23(30)34-18-4-9-25(15-28)20-5-8-24(3)19(17-12-22(29)33-14-17)7-11-27(24,32)21(20)6-10-26(25,31)13-18;/h12,15-16,18-21,31-32H,4-11,13-14H2,1-3H3;1H/t18-,19+,20-,21+,24+,25-,26-,27-;/m0./s1

InChIKey

RCBMTBRYPANMIT-VPIDWONZSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 534ug/kg (0.534mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING Journal of Pharmacology and Experimental Therapeutics. Vol. 82, Pg. 98, 1944.