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Substance Name: Furoylglycine
RN: 5657-19-2
InChIKey: KSPQDMRTZZYQLM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H7-N-O4

Molecular Weight

  • 169.135
 
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Names and Synonyms

Name of Substance

  • Furoylglycine

Synonyms

  • 2-Furoylglycine
  • 4-18-00-03955 (Beilstein Handbook Reference)
  • BRN 0142378
  • Furfuroylglycine
  • Furoilglicina
  • Furoilglicina [Italian]
  • Furoylglycine
  • N-(2-Furanylcarbonyl)glycine
  • N-(2-Furoyl)glycine
  • Pyromucuric acid

Systematic Names

  • Glycine, N-(2-furanylcarbonyl)- (9CI)
  • Glycine, N-2-furoyl-

Registry Numbers

CAS Registry Number

  • 5657-19-2

System Generated Number

  • 0005657192

Structure Descriptors

InChI

1S/C7H7NO4/c9-6(10)4-8-7(11)5-2-1-3-12-5/h1-3H,4H2,(H,8,11)(H,9,10)

InChIKey

KSPQDMRTZZYQLM-UHFFFAOYSA-N

Smiles

c1(C(NCC(O)=O)=O)ccco1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 865mg/kg (865mg/kg)   Bollettino Chimico Farmaceutico. Vol. 106, Pg. 406, 1967.
rat LD50 oral > 7500mg/kg (7500mg/kg)   Bollettino Chimico Farmaceutico. Vol. 106, Pg. 406, 1967.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.420 (none)   EST
Water Solubility 3.17E+04 mg/L 21 EXP
Atmospheric OH Rate Constant 4.58E-11 cm3/molecule-sec 25 EST

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