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Substance Name: (1,1'-Biphenyl)-4-butanoic acid, 2',4'-dichloro-alpha-methyl-gamma-oxo-
RN: 104941-36-8
InChIKey: WKGJVKRGKJFBTL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H14-Cl2-O3

Molecular Weight

  • 337.2006
 
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Names and Synonyms

Synonyms

  • 2',4'-Dichloro-alpha-methyl-gamma-oxo-(1,1'-biphenyl)-4-butanoic acid
  • 4-(2',4'-Dichlorobiphenylyl)-2-methyl-4-oxobutanoic acid

Systematic Name

  • (1,1'-Biphenyl)-4-butanoic acid, 2',4'-dichloro-alpha-methyl-gamma-oxo-

Registry Numbers

CAS Registry Number

  • 104941-36-8

System Generated Number

  • 0104941368

Structure Descriptors

InChI

1S/C17H14Cl2O3/c1-10(17(21)22)8-16(20)12-4-2-11(3-5-12)14-7-6-13(18)9-15(14)19/h2-7,9-10H,8H2,1H3,(H,21,22)

InChIKey

WKGJVKRGKJFBTL-UHFFFAOYSA-N

Smiles

CC(CC(=O)c1ccc(cc1)c2ccc(cc2Cl)Cl)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral 500mg/kg (500mg/kg)   United States Patent Document. Vol. #0180290,