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Substance Name: Picrotoxinin, alpha-dihydro-, acetate
RN: 21291-17-8
InChIKey: KTUYHVICIONRJN-UHFFFAOYSA-N

Molecular Formula

  • C17-H20-O7

Molecular Weight

  • 336.338
 
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Names and Synonyms

Synonyms

  • 4-19-00-05191 (Beilstein Handbook Reference)
  • alpha-Dihydropicrotoxinin acetate
  • BRN 0095819

Systematic Name

  • Picrotoxinin, alpha-dihydro-, acetate

Registry Numbers

CAS Registry Number

  • 21291-17-8

System Generated Number

  • 0021291178

Structure Descriptors

InChI

1S/C17H20O7/c1-6(2)9-10-13(19)21-11(9)12-15(4)16(10,23-7(3)18)5-8-17(15,24-8)14(20)22-12/h6,8-12H,5H2,1-4H3

InChIKey

KTUYHVICIONRJN-UHFFFAOYSA-N

Smiles

C(C)(C)[C@@H]1[C@@H]2[C@@]3(C[C@@H]4[C@@]5(C(O[C@@H]([C@@H]1OC2=O)[C@@]35C)=O)O4)OC(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 220mg/kg (220mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 729, 1968.