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Substance Name: Benzenebutanoic acid, 3-chloro-4-(1,1-dimethylethyl)-gamma-oxo-
RN: 32780-43-1
InChIKey: AJUPQWGDFGOSQH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H17-Cl-O3

Molecular Weight

  • 268.738
 
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Names and Synonyms

Synonyms

  • 3-Chloro-4-(1,1-dimethylethyl)-gamma-oxo-benzenebutanoic acid
  • BRN 2858328

Systematic Name

  • Benzenebutanoic acid, 3-chloro-4-(1,1-dimethylethyl)-gamma-oxo-

Registry Numbers

CAS Registry Number

  • 32780-43-1

System Generated Number

  • 0032780431

Structure Descriptors

InChI

1S/C14H17ClO3/c1-14(2,3)10-5-4-9(8-11(10)15)12(16)6-7-13(17)18/h4-5,8H,6-7H2,1-3H3,(H,17,18)

InChIKey

AJUPQWGDFGOSQH-UHFFFAOYSA-N

Smiles

c1(cc(c(cc1)C(C)(C)C)Cl)C(CCC(=O)O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 500mg/kg (500mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 1360, 1974.