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Substance Name: Strophanthidin 3-bromoacetate
RN: 4956-18-7
InChIKey: HQEHABLFHCPQHP-IFZLVPIESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H33-Br-O7

Molecular Weight

  • 525.433
 
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Names and Synonyms

Name of Substance

  • Strophanthidin 3-bromoacetate

Synonyms

  • 4-18-00-03130 (Beilstein Handbook Reference)
  • BRN 0067333
  • Card-20(22)enolide, 3-((bromoacetyl)oxy)-5,14-dihydroxy-19-oxo-, (3-beta,5-beta)-
  • NSC 96738
  • SIBA
  • Strophanthidin 3-bromoacetate
  • Strophanthidin bromoacetate

Systematic Name

  • 5-beta-Card-20(22)enolide, 3-beta,5,14-trihydroxy-19-oxo-, 3-(bromoacetate)

Registry Numbers

CAS Registry Number

  • 4956-18-7

System Generated Number

  • 0004956187

Structure Descriptors

InChI

1S/C25H33BrO7/c1-22-6-3-18-19(25(22,31)9-5-17(22)15-10-20(28)32-13-15)4-8-24(30)11-16(33-21(29)12-26)2-7-23(18,24)14-27/h10,14,16-19,30-31H,2-9,11-13H2,1H3/t16-,17+,18?,19?,22+,23-,24-,25-/m0/s1

InChIKey

HQEHABLFHCPQHP-IFZLVPIESA-N

Smiles

C1[C@@]2([C@@H]3[C@@H]([C@@]4([C@]([C@@H](C5=CC(=O)OC5)CC4)(C)CC3)O)CC[C@@]2(C[C@H](OC(CBr)=O)C1)O)C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo intravenous 8812ug/kg (8.812mg/kg)   Basic Research in Cardiology. Vol. 76, Pg. 62, 1981.