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Substance Name: 2,4-Hexadiene-1,6-dione, 1-(4-bromophenyl)-3,4-dihydroxy-6-phenyl-, (Z,Z)-
RN: 139266-57-2
InChIKey: BVZKWKQHUBOFOC-IWSCKCOWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H13-Br-O4

Molecular Weight

  • 373.2007
 
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Names and Synonyms

Synonyms

  • (Z,Z)-1-(4-Bromophenyl)-3,4-dihydroxy-6-phenyl-2,4-hexadiene-1,6-dione
  • BRN 5442423

Systematic Name

  • 2,4-Hexadiene-1,6-dione, 1-(4-bromophenyl)-3,4-dihydroxy-6-phenyl-, (Z,Z)-

Registry Numbers

CAS Registry Number

  • 139266-57-2

System Generated Number

  • 0139266572

Structure Descriptors

InChI

1S/C18H13BrO4/c19-14-8-6-13(7-9-14)16(21)11-18(23)17(22)10-15(20)12-4-2-1-3-5-12/h1-11,22-23H/b17-10-,18-11-

InChIKey

BVZKWKQHUBOFOC-IWSCKCOWSA-N

Smiles

c1ccc(cc1)C(=O)/C=C(/C(=C/C(=O)c2ccc(cc2)Br)/O)\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.