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Substance Name: Strophanthidin-3-nicotinate
RN: 21515-43-5
InChIKey: KZDOGGYMASNQGM-DLYQOUECSA-N

Molecular Formula

  • C29-H35-N-O7

Molecular Weight

  • 509.595
 
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Names and Synonyms

Results Name

  • Strophanthidin-3-nicotinate

Synonyms

  • (3-beta,5-beta)-5,14-Dihydroxy-19-oxo-3-((3-pyridinylcarbonyl)oxy)card-20(22)-enolide
  • 4-22-00-00385 (Beilstein Handbook Reference)
  • 5-beta-Card-20(22)-enolide, 19-oxo-3-beta,5,14-trihydroxy-, 3-nicotinate
  • BRN 0070085
  • Go 2616
  • Nicotinic acid, ester with strophanthidin
  • Strophanthidin-3-nicotinate

Systematic Name

  • Card-20(22)-enolide, 5,14-dihydroxy-19-oxo-3-((3-pyridinylcarbonyl)oxy)-, (3-beta,5-beta)-

Registry Numbers

CAS Registry Number

  • 21515-43-5

System Generated Number

  • 0021515435

Structure Descriptors

InChI

1S/C29H35NO7/c1-26-8-5-22-23(29(26,35)11-7-21(26)19-13-24(32)36-16-19)6-10-28(34)14-20(4-9-27(22,28)17-31)37-25(33)18-3-2-12-30-15-18/h2-3,12-13,15,17,20-23,34-35H,4-11,14,16H2,1H3/t20-,21+,22?,23?,26+,27-,28-,29-/m0/s1

InChIKey

KZDOGGYMASNQGM-DLYQOUECSA-N

Smiles

C1[C@@]2([C@@H]3[C@@H]([C@@]4([C@]([C@@H](C=5COC(C5)=O)CC4)(C)CC3)O)CC[C@@]2(C[C@H](OC(c2cccnc2)=O)C1)O)C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 967ug/kg (0.967mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING Journal of Pharmacology and Experimental Therapeutics. Vol. 82, Pg. 98, 1944.