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Substance Name: Homobatrachotoxin
RN: 23509-17-3
UNII: 1Q75I2OBI4
InChIKey: PRSLQQJCHZFAHB-PZCWOAKJSA-N

Note

  • From Pitohui dichrous; toxic substance that can function as a defensive chemical.

Molecular Formula

  • C32-H44-N2-O6

Molecular Weight

  • 552.7076
 
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Names and Synonyms

Name of Substance

  • Homobatrachotoxin

Synonyms

  • Batrachotoxinin A, 20-(2-ethyl-4-methyl-1H-pyrrole-3-carboxylate)
  • BRN 1613465
  • Homobatrachotoxin
  • UNII-1Q75I2OBI4

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 23509-17-3

FDA UNII

  • 1Q75I2OBI4

System Generated Number

  • 0023509173

Structure Descriptors

InChI

1S/C32H44N2O6/c1-6-23-26(19(2)17-33-23)27(36)39-20(3)22-9-10-31-24-8-7-21-15-30(37)12-11-28(21,4)32(24,40-30)25(35)16-29(22,31)18-34(5)13-14-38-31/h8-9,17,20-21,25,33,35,37H,6-7,10-16,18H2,1-5H3/t20-,21+,25+,28-,29-,30+,31-,32-/m0/s1

InChIKey

PRSLQQJCHZFAHB-PZCWOAKJSA-N

Smiles

CCc1[nH]cc(C)c1C(=O)O[C@@H](C)C2=CC[C@@]34OCCN(C)C[C@@]23C[C@@H](O)[C@]56O[C@]7(O)CC[C@@]5(C)[C@H](CC=C46)C7

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 3ug/kg (0.003mg/kg)   Clinical Toxicology. Vol. 4, Pg. 331, 1971.