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Substance Name: 2,5-Hexadienoic acid, 3-methoxy-5-methyl-4-oxo-, sodium salt
RN: 74667-52-0
InChIKey: IMOOUKALUNGQQP-YHSAGPEESA-M

Note

  • A mycotoxin with antibiotic and carcinogenic activity produced by various strains of PENICILLIUM and ASPERGILLUS. It has been found in tobacco, sausages, and corn.

Molecular Formula

  • C8-H9-O4.Na

Molecular Weight

  • 192.145
 
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Names and Synonyms

Synonyms

  • 3-Methoxy-5-methyl-4-oxo-2,5-hexadienoic acid sodium salt
  • Penicillic acid sodium salt
  • Sodium penicillate

Systematic Name

  • 2,5-Hexadienoic acid, 3-methoxy-5-methyl-4-oxo-, sodium salt

Registry Numbers

CAS Registry Number

  • 74667-52-0

System Generated Number

  • 0074667520

Molecular Formulas

Molecular Formula

  • C8-H9-O4.Na

Molecular Formula Fragments

  • C8-H9-O4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C8H10O4.Na/c1-5(2)8(11)6(12-3)4-7(9)10;/h4H,1H2,2-3H3,(H,9,10);/q;+1/p-1/b6-4-;

InChIKey

IMOOUKALUNGQQP-YHSAGPEESA-M

Smiles

C(\C(C(C)=C)=O)(=C\C(=O)[O-])OC.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
chicken LD50 oral 92mg/kg (92mg/kg)   Poultry Science. Vol. 59, Pg. 1203, 1980.