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Substance Name: Glycine, N-(4-iodobenzoyl)- (9CI)
RN: 55790-22-2
InChIKey: DVALMHFCJYLXPH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H8-I-N-O3

Molecular Weight

  • 305.066
 
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Names and Synonyms

Synonyms

  • 2-09-00-00240 (Beilstein Handbook Reference)
  • BRN 1967780
  • N-(4-Iodobenzoyl)glycine
  • p-Iodohippuric acid

Systematic Names

  • Glycine, N-(4-iodobenzoyl)- (9CI)
  • Hippuric acid, p-iodo-

Registry Numbers

CAS Registry Number

  • 55790-22-2

System Generated Number

  • 0055790222

Structure Descriptors

InChI

1S/C9H8INO3/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

DVALMHFCJYLXPH-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo unreported 1300mg/kg (1300mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 42, Pg. 721, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.94 (none)   EXP
Water Solubility 253 mg/L 25 EST
Vapor Pressure 2.26E-08 mm Hg 25 EST
Henry's Law Constant 1.67E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.01E-11 cm3/molecule-sec 25 EST

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