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Substance Name: beta-Picrotoxinic acid, methyl ester
RN: 21291-18-9
InChIKey: ZBXZKQNMMFSPCV-UHFFFAOYSA-N

Molecular Formula

  • C16-H20-O7

Molecular Weight

  • 324.327
 
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Names and Synonyms

Synonyms

  • 4-19-00-05375 (Beilstein Handbook Reference)
  • BRN 0048503
  • Methyl-beta-picrotoxinate

Systematic Name

  • beta-Picrotoxinic acid, methyl ester

Registry Numbers

CAS Registry Number

  • 21291-18-9

System Generated Number

  • 0021291189

Structure Descriptors

InChI

1S/C16H20O7/c1-13(2)7-8-11(18)21-10(9(7)17)14(3)15(8,23-13)5-6-16(14,22-6)12(19)20-4/h6-10,17H,5H2,1-4H3

InChIKey

ZBXZKQNMMFSPCV-UHFFFAOYSA-N

Smiles

COC([C@@]12[C@@]3([C@@H]4OC([C@@H]5[C@@]3(OC([C@@H]5[C@@H]4O)(C)C)C[C@@H]2O1)=O)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 729, 1968.