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Substance Name: Benzenebutanoic acid, alpha-amino-4-chloro-gamma-oxo-
RN: 139084-65-4
InChIKey: CKLOTMANRVIPIE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H10-Cl-N-O3

Molecular Weight

  • 227.646
 
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Names and Synonyms

Synonyms

  • alpha-Amino-4-chloro-gamma-oxobenzenebutanoic acid
  • alpha-Amino-beta-(p-chlorobenzoyl)propionic acid

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 139084-65-4

System Generated Number

  • 0139084654

Structure Descriptors

InChI

1S/C10H10ClNO3/c11-7-3-1-6(2-4-7)9(13)5-8(12)10(14)15/h1-4,8H,5,12H2,(H,14,15)

InChIKey

CKLOTMANRVIPIE-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1625mg/kg (1625mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 43, Pg. 271, 1991.
mouse LD50 oral > 2500mg/kg (2500mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 43, Pg. 271, 1991.