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Substance Name: Batrachotoxinin A, 20-alpha-(4,5-dimethyl-1H-pyrrole-3-carboxylate)
RN: 32476-55-4
InChIKey: KSUKORCMHPRGFT-NARMBRKISA-N

Molecular Formula

  • C31-H42-N2-O6

Molecular Weight

  • 538.681
 
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Names and Synonyms

Synonyms

  • 4,5-Dimethylbatrachotoxin
  • Batrachotoxinin A, 20-(4,5-dimethylpyrrole-3-carboxylate)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 32476-55-4

System Generated Number

  • 0032476554

Structure Descriptors

InChI

1S/C31H42N2O6/c1-18-19(2)32-16-22(18)26(35)38-20(3)23-8-9-30-24-7-6-21-14-29(36)11-10-27(21,4)31(24,39-29)25(34)15-28(23,30)17-33(5)12-13-37-30/h7-8,16,20-21,25,32,34,36H,6,9-15,17H2,1-5H3/t20?,21-,25-,27+,28?,29+,30+,31?/m1/s1

InChIKey

KSUKORCMHPRGFT-NARMBRKISA-N

Smiles

C1=2[C@@]3([C@@]4([C@@H](C[C@](O3)(O)CC4)CC2)C)[C@@H](C[C@@]23[C@@]1(CC=C2[C@@H](OC(c1c(c(C)[nH]c1)C)=O)C)OCC[N@@](C3)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 260ug/kg (0.26mg/kg)   Clinical Toxicology. Vol. 4, Pg. 331, 1971.