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Substance Name: Hippuric acid
RN: 495-69-2
UNII: TE0865N2ET
InChIKey: QIAFMBKCNZACKA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H9-N-O3

Molecular Weight

  • 179.1741
 
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Names and Synonyms

Name of Substance

  • Hippuric acid

Synonyms

  • 4-09-00-00778 (Beilstein Handbook Reference)
  • Acetic acid, (benzoylamino)-
  • Acido ippurico
  • Acido ippurico [Italian]
  • AI3-01062
  • Benzamidoacetic acid
  • Benzamidoessigsaeure
  • Benzoylaminoessigsaeure
  • Benzoylglycine
  • BRN 1073987
  • EINECS 207-806-3
  • Glycine, N-benzoyl-
  • Hippuric acid
  • Hippursaeure
  • N-Benzoyl-glycin
  • N-Benzoylglycine
  • NSC 9982
  • Phenylcarbonylaminoacetic acid
  • UNII-TE0865N2ET

Systematic Names

  • Glycine, N-benzoyl-
  • Hippuric acid

Registry Numbers

CAS Registry Number

  • 495-69-2

FDA UNII

  • TE0865N2ET

Other Registry Numbers

  • 1361329-72-7
  • 140480-84-8
  • 21251-67-2
  • 66407-11-2
  • 892119-18-5
  • 892119-19-6

Related Registry Numbers

  • 532-93-4 (mono-ammonium salt)
  • 532-94-5 (mono-hydrochloride salt)
  • 583-10-8 (mono-potassium salt)

System Generated Number

  • 0000495692

Structure Descriptors

InChI

InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)

InChIKey

QIAFMBKCNZACKA-UHFFFAOYSA-N

Smiles

OC(=O)CNC(=O)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 1500mg/kg (1500mg/kg)   Bollettino Chimico Farmaceutico. Vol. 112, Pg. 53, 1973.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 191.5 deg C   EXP
log P (octanol-water) 0.31 (none)   EXP
Water Solubility 3750 mg/L 25 EXP
Vapor Pressure 7.62E-07 mm Hg 25 EST
Henry's Law Constant 7.21E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.07E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.