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Substance Name: 2,4-Hexadiene-1,6-dione, 1,6-bis(4-methylphenyl)-3,4-dihydroxy-, (Z,Z)-
RN: 139266-62-9
InChIKey: UUDSJDURPHNSSP-YZLQMOBTSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H18-O4

Molecular Weight

  • 322.3582
 
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Names and Synonyms

Synonyms

  • (Z,Z)-1,6-Bis(4-methylphenyl)-3,4-dihydroxy-2,4-hexadiene-1,6-dione
  • BRN 5442430

Systematic Name

  • 2,4-Hexadiene-1,6-dione, 1,6-bis(4-methylphenyl)-3,4-dihydroxy-, (Z,Z)-

Registry Numbers

CAS Registry Number

  • 139266-62-9

System Generated Number

  • 0139266629

Structure Descriptors

InChI

1S/C20H18O4/c1-13-3-7-15(8-4-13)17(21)11-19(23)20(24)12-18(22)16-9-5-14(2)6-10-16/h3-12,23-24H,1-2H3/b19-11-,20-12-

InChIKey

UUDSJDURPHNSSP-YZLQMOBTSA-N

Smiles

Cc1ccc(cc1)C(=O)/C=C(\O)/C(=C/C(=O)c2ccc(cc2)C)/O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 600mg/kg (600mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 891, 1991.