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Substance Name: Benzenebutanoic acid, 3-chloro-4-(1,1-dimethylethyl)-
RN: 32808-63-2
InChIKey: UYBQFSRGLVQUQX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H19-Cl-O2

Molecular Weight

  • 254.755
 
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Names and Synonyms

Synonyms

  • 3-Chloro-4-(1,1-dimethylethyl)benzenebutanoic acid
  • BRN 2115147
  • CB 788

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 32808-63-2

System Generated Number

  • 0032808632

Structure Descriptors

InChI

1S/C14H19ClO2/c1-14(2,3)11-8-7-10(9-12(11)15)5-4-6-13(16)17/h7-9H,4-6H2,1-3H3,(H,16,17)

InChIKey

UYBQFSRGLVQUQX-UHFFFAOYSA-N

Smiles

c1(cc(c(cc1)C(C)(C)C)Cl)CCCC(=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.