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Substance Name: alpha-Picrotoxinin, methyl ester
RN: 21412-42-0
InChIKey: FBDLPHODDMIQGI-IVFUWNIESA-N

Molecular Formula

  • C16-H20-O7

Molecular Weight

  • 324.327
 
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Names and Synonyms

Synonyms

  • 4-19-00-03942 (Beilstein Handbook Reference)
  • BRN 0046142
  • Methyl-alpha-picrotoxinate

Systematic Name

  • alpha-Picrotoxinin, methyl ester

Registry Numbers

CAS Registry Number

  • 21412-42-0

System Generated Number

  • 0021412420

Structure Descriptors

InChI

1S/C16H20O7/c1-6(2)8-9-12(18)22-11(10(8)17)14(3)15(9,20)5-7-16(14,23-7)13(19)21-4/h7-11,17,20H,1,5H2,2-4H3/t7-,8+,9+,10-,11+,14-,15-,16+/m1/s1

InChIKey

FBDLPHODDMIQGI-IVFUWNIESA-N

Smiles

C1[C@H]2O[C@@]2(C(=O)OC)[C@@]2([C@@H]3[C@@H]([C@H]([C@@H]([C@@]12O)C(O3)=O)C(C)=C)O)C

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.