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Substance Name: 2,4-Hexadiene-1,6-dione, 1,6-bis(4-ethoxyphenyl)-3,4-dihydroxy-, (Z,Z)-
RN: 139266-63-0
InChIKey: QCWJXLHSQZLXGS-JZTLMNBPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H22-O6

Molecular Weight

  • 382.4098
 
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Names and Synonyms

Synonyms

  • (Z,Z)-1,6-Bis(4-ethoxyphenyl)-3,4-dihydroxy-2,4-hexadiene-1,6-dione
  • BRN 5452278

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 139266-63-0

System Generated Number

  • 0139266630

Structure Descriptors

InChI

1S/C22H22O6/c1-3-27-17-9-5-15(6-10-17)19(23)13-21(25)22(26)14-20(24)16-7-11-18(12-8-16)28-4-2/h5-14,25-26H,3-4H2,1-2H3/b21-13-,22-14-

InChIKey

QCWJXLHSQZLXGS-JZTLMNBPSA-N

Smiles

CCOc1ccc(cc1)C(=O)/C=C(\O)/C(=C/C(=O)c2ccc(cc2)OCC)/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.