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Substance Name: Batrachotoxinin A, 20-alpha-(2,4-dimethyl-5-ethyl-1H-pyrrole-3-carboxylate)
RN: 23509-22-0
InChIKey: MMEKKZYBEQHKCI-PULVHBKXSA-N

Molecular Formula

  • C33-H46-N2-O6

Molecular Weight

  • 566.734
 
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Names and Synonyms

Synonym

  • BRN 1613496

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 23509-22-0

System Generated Number

  • 0023509220

Structure Descriptors

InChI

1S/C33H46N2O6/c1-7-24-19(2)27(20(3)34-24)28(37)40-21(4)23-10-11-32-25-9-8-22-16-31(38)13-12-29(22,5)33(25,41-31)26(36)17-30(23,32)18-35(6)14-15-39-32/h9-10,21-22,26,34,36,38H,7-8,11-18H2,1-6H3/t21?,22-,26-,29+,30?,31+,32+,33?/m1/s1

InChIKey

MMEKKZYBEQHKCI-PULVHBKXSA-N

Smiles

C1=2[C@]34[C@@](C([C@@H](OC(c5c(c(CC)[nH]c5C)C)=O)C)=CC3)(C[C@H](O)[C@@]31[C@@]1([C@@H](C[C@](O3)(O)CC1)CC2)C)C[N@@](C)CCO4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 8ug/kg (0.008mg/kg)   Clinical Toxicology. Vol. 4, Pg. 331, 1971.