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Substance Name: Glycine, N-(3-iodobenzoyl)- (9CI)
RN: 52386-94-4
InChIKey: JFJVYCLGHWPODH-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 1967705
  • m-Iodohippuric acid
  • N-(3-Iodobenzoyl)glycine

Systematic Names

  • Glycine, N-(3-iodobenzoyl)- (9CI)
  • Hippuric acid, m-iodo-

Registry Numbers

CAS Registry Number

  • 52386-94-4

System Generated Number

  • 0052386944

Structure Descriptors

InChI

1S/C9H8INO3/c10-7-3-1-2-6(4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)

InChIKey

JFJVYCLGHWPODH-UHFFFAOYSA-N

Smiles

c1(C(NCC(O)=O)=O)cc(ccc1)I

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo unreported 1500mg/kg (1500mg/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) 1.88 (none)   EXP
Water Solubility 284 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 9.48E-12 cm3/molecule-sec 25 EST

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