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Substance Name: 5-Methylbatrachotoxin
RN: 23509-21-9
InChIKey: MBORMZYFFQKAPD-CHTMVKQESA-N

Molecular Formula

  • C32-H44-N2-O6

Molecular Weight

  • 552.708
 
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Names and Synonyms

Results Name

  • 5-Methylbatrachotoxin

Synonyms

  • 5-Methylbatrachotoxin
  • Batrachotoxinin A, 20-(2,4,5-trimethylpyrrole-3-carboxylate)
  • Batrachotoxinin A, 20-(2,4,5-trimetyl-1H-pyrrole-3-carboxylate)
  • BRN 1613226

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 23509-21-9

System Generated Number

  • 0023509219

Structure Descriptors

InChI

1S/C32H44N2O6/c1-18-19(2)33-20(3)26(18)27(36)39-21(4)23-9-10-31-24-8-7-22-15-30(37)12-11-28(22,5)32(24,40-30)25(35)16-29(23,31)17-34(6)13-14-38-31/h8-9,21-22,25,33,35,37H,7,10-17H2,1-6H3/t21?,22-,25-,28+,29?,30+,31+,32?/m1/s1

InChIKey

MBORMZYFFQKAPD-CHTMVKQESA-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([nH]c(c1C)C)C)=O)C)OCC[N@@](C3)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 1ug/kg (0.001mg/kg)   Clinical Toxicology. Vol. 4, Pg. 331, 1971.