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Substance Name: Benzenebutanoic acid, gamma-(4,5-dimethoxy-3,6-dioxo-2-methyl-1,4-cyclohexadien-1-yl)-
RN: 103186-08-9
InChIKey: LTZWZLMNYYAVLP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H20-O6

Molecular Weight

  • 344.361
 
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Names and Synonyms

Synonyms

  • 4-(3,4-Dimethoxy-6-methyl-2,5-benzoquinonyl)-4-phenylbutyric acid
  • gamma-(4,5-Dimethoxy-3,6-dioxo-2-methyl-1,4-cyclohexadien-1-yl)benzenebutanoic acid

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 103186-08-9

System Generated Number

  • 0103186089

Structure Descriptors

InChI

1S/C19H20O6/c1-11-15(17(23)19(25-3)18(24-2)16(11)22)13(9-10-14(20)21)12-7-5-4-6-8-12/h4-8,13H,9-10H2,1-3H3,(H,20,21)

InChIKey

LTZWZLMNYYAVLP-UHFFFAOYSA-N

Smiles

CC1=C(C(=O)C(=C(C1=O)OC)OC)C(CCC(=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,