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Substance Name: Benzenepentanoic acid, delta-(4,5-dimethoxy-3,6-dioxo-2-methyl-1,4-cyclohexadien-1-yl)-
RN: 103186-09-0
InChIKey: KSKFDASBPHYPAW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H22-O6

Molecular Weight

  • 358.3878
 
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Names and Synonyms

Synonyms

  • 4-(3,4-Dimethoxy-6-methyl-2,5-benzoquinonyl)-5-phenylvaleric acid
  • delta-(4,5-Dimethoxy-3,6-dioxo-2-methyl-1,4-cyclohexadien-1-yl)benzenepentanoic acid

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 103186-09-0

System Generated Number

  • 0103186090

Structure Descriptors

InChI

1S/C20H22O6/c1-12-16(18(24)20(26-3)19(25-2)17(12)23)14(10-7-11-15(21)22)13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-11H2,1-3H3,(H,21,22)

InChIKey

KSKFDASBPHYPAW-UHFFFAOYSA-N

Smiles

CC1=C(C(=O)C(=C(C1=O)OC)OC)C(CCCC(=O)O)c2ccccc2

Toxicity

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