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Substance Name: Benzeneheptanoic acid, zeta-(4,5-dimethoxy-3,6-dioxo-2-methyl-1,4-cyclohexadien-1-yl)-
RN: 103186-00-1
InChIKey: QGFAWLXRVKPXFH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H26-O6

Molecular Weight

  • 386.4414
 
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Names and Synonyms

Synonyms

  • 7-(3,4-Dimethoxy-6-methyl-2,5-benzoquinonyl)-7-phenylheptanoic acid
  • zeta-(4,5-Dimethoxy-3,6-dioxo-2-methyl-1,4-cyclohexadien-1-yl)benzeneheptanoic acid

Systematic Name

  • Benzeneheptanoic acid, zeta-(4,5-dimethoxy-3,6-dioxo-2-methyl-1,4-cyclohexadien-1-yl)-

Registry Numbers

CAS Registry Number

  • 103186-00-1

System Generated Number

  • 0103186001

Structure Descriptors

InChI

1S/C22H26O6/c1-14-18(20(26)22(28-3)21(27-2)19(14)25)16-11-8-10-15(13-16)9-6-4-5-7-12-17(23)24/h8,10-11,13H,4-7,9,12H2,1-3H3,(H,23,24)

InChIKey

QGFAWLXRVKPXFH-UHFFFAOYSA-N

Smiles

CC1=C(C(=O)C(=C(C1=O)OC)OC)c2cccc(c2)CCCCCCC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 500mg/kg (500mg/kg)   United States Patent Document. Vol. #4774241,