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Substance Name: Benzenebutanoic acid, 4-chloro-alpha-cyano-gamma-oxo-
RN: 124500-02-3
InChIKey: WFMLJUZCCNCWEI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H8-Cl-N-O3

Molecular Weight

  • 237.6412
 
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Names and Synonyms

Synonyms

  • 2-Cyano-3-(p-chlorobenzoyl)propionic acid
  • 4-Chloro-alpha-cyano-gamma-oxobenzenebutanoic acid

Systematic Name

  • Benzenebutanoic acid, 4-chloro-alpha-cyano-gamma-oxo-

Registry Numbers

CAS Registry Number

  • 124500-02-3

System Generated Number

  • 0124500023

Structure Descriptors

InChI

1S/C11H8ClNO3/c12-9-3-1-7(2-4-9)10(14)5-8(6-13)11(15)16/h1-4,8H,5H2,(H,15,16)

InChIKey

WFMLJUZCCNCWEI-UHFFFAOYSA-N

Smiles

c1cc(ccc1C(=O)CC(C#N)C(=O)O)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 708mg/kg (708mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 41, Pg. 77, 1989.
mouse LD50 oral 1838mg/kg (1838mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 41, Pg. 77, 1989.