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Substance Name: Benzenebutanoic acid, 3-chloro-4-(1-methylethyl)-gamma-oxo-
RN: 32780-41-9
InChIKey: IABOTBQLHBOLNH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H15-Cl-O3

Molecular Weight

  • 254.712
 
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Names and Synonyms

Synonyms

  • 3-Chloro-4-(1-methylethyl)-gamma-oxobenzenebutanoic acid
  • 3-Chloro-4-isopropyl-gamma-oxobenzenebutanoic acid
  • Acide (isopropyl-4 chloro-3 phenyl)-4 oxo-4 butyrique
  • Acide (isopropyl-4 chloro-3 phenyl)-4 oxo-4 butyrique [French]
  • BRN 2736903
  • CB 844

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 32780-41-9

System Generated Number

  • 0032780419

Structure Descriptors

InChI

1S/C13H15ClO3/c1-8(2)10-4-3-9(7-11(10)14)12(15)5-6-13(16)17/h3-4,7-8H,5-6H2,1-2H3,(H,16,17)

InChIKey

IABOTBQLHBOLNH-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 1360, 1974.