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Substance Name: Batrachotoxinin A, 20-(p-bromobenzoate)
RN: 19457-36-4
InChIKey: NOGYGABWMBKDGJ-UHFFFAOYSA-N

Molecular Formula

  • C32-H38-N-O6

Molecular Weight

  • 600.5462
 
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Names and Synonyms

Synonym

  • BB-Bct-A

Systematic Name

  • Batrachotoxinin A, 20-(p-bromobenzoate)

Registry Numbers

CAS Registry Number

  • 19457-36-4

System Generated Number

  • 0019457364

Structure Descriptors

InChI

1S/C31H38BrNO6/c1-19(38-26(35)20-4-7-22(32)8-5-20)23-10-11-30-24-9-6-21-16-29(36)13-12-27(21,2)31(24,39-29)25(34)17-28(23,30)18-33(3)14-15-37-30/h4-5,7-10,19,21,25,34,36H,6,11-18H2,1-3H3

InChIKey

NOGYGABWMBKDGJ-UHFFFAOYSA-N

Smiles

CC(C1=CCC23C1(CC(C45C2=CCC6C4(CCC(C6)(O5)O)C)O)CN(CCO3)C)OC(=O)c7ccc(cc7)Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 1000ug/kg (1mg/kg)   Pharmaceutical Chemistry Journal Vol. 13, Pg. 1247, 1979.