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Substance Name: 4-Chlorohippuric acid
RN: 13450-77-6
UNII: 92HJ692NVA
InChIKey: COYZIYOEXGRBHQ-UHFFFAOYSA-N

Note

  • Metabolite of zomepirac.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H8-Cl-N-O3

Molecular Weight

  • 213.619
 
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Names and Synonyms

Name of Substance

  • 4-Chlorohippuric acid

Synonyms

  • 3-09-00-01364 (Beilstein Handbook Reference)
  • 4-Chlorobenzoylglycine
  • 4-Chlorohippuric acid
  • AI3-30805
  • BRN 1110511
  • N-(4-Chlorobenzoyl)glycine
  • N-(p-Chlorobenzoyl)glycine
  • p-Chlorobenzoylglycine
  • p-Chlorohippuric acid
  • UNII-92HJ692NVA

Systematic Names

  • Glycine, N-(4-chlorobenzoyl)- (9CI)
  • Hippuric acid, p-chloro-

Registry Numbers

CAS Registry Number

  • 13450-77-6

FDA UNII

  • 92HJ692NVA

System Generated Number

  • 0013450776

Structure Descriptors

InChI

1S/C9H8ClNO3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)

InChIKey

COYZIYOEXGRBHQ-UHFFFAOYSA-N

Smiles

c1(C(NCC(O)=O)=O)ccc(Cl)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 2230mg/kg (2230mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 21, Pg. 794, 1973.