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Substance Name: 5-Acetylbatrachotoxin
RN: 23509-23-1
InChIKey: FXHBECTXWAOHHI-BNHPKQKQSA-N

Molecular Formula

  • C33-H44-N2-O7

Molecular Weight

  • 580.7176
 
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Names and Synonyms

Results Name

  • 5-Acetylbatrachotoxin

Synonyms

  • 5-Acetylbatrachotoxin
  • Batrachotoxinin A, 20-(5-acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylate)
  • Batrachotoxinin A, 20-(5-acetyl-2,4-dimethylpyrrole-3-carboxylate)
  • BRN 1613908

Systematic Name

  • Batrachotoxinin A, 20-alpha-(2,4-dimethyl-5-acetyl-1H-pyrrole-3-carboxylate)

Registry Numbers

CAS Registry Number

  • 23509-23-1

System Generated Number

  • 0023509231

Structure Descriptors

InChI

1S/C33H44N2O7/c1-18-26(19(2)34-27(18)20(3)36)28(38)41-21(4)23-9-10-32-24-8-7-22-15-31(39)12-11-29(22,5)33(24,42-31)25(37)16-30(23,32)17-35(6)13-14-40-32/h8-9,21-22,25,34,37,39H,7,10-17H2,1-6H3/t21?,22-,25-,29+,30+,31-,32+,33?/m1/s1

InChIKey

FXHBECTXWAOHHI-BNHPKQKQSA-N

Smiles

Cc1c(c([nH]c1C(=O)C)C)C(=O)OC(C)C2=CC[C@@]34[C@@]2(C[C@H](C56C3=CC[C@H]7[C@@]5(CC[C@](C7)(O6)O)C)O)CN(CCO4)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 250mg/kg (250mg/kg)   Clinical Toxicology. Vol. 4, Pg. 331, 1971.