title: Identification and quantification of metabolites of 2,3,5,6-tetrafluoro-4-trifluoromethylaniline in rat urine using 19F nuclear magnetic resonance spectroscopy, high-performance liquid chromatography-nuclear magnetic resonance spectroscopy and high-performance liquid chromatography-mass spectrometry.
abstract: The urinary excretion profile and identity of the metabolites of 2,3,5,6-tetrafluoro-4-triflouromethylaniline, following i.p. administration to the rat at 50 mg kg(-1), were determined using a combination of 19F-NMR, HPLC-NMR and HPLC-MS. A total of 38% of the dose was eliminated in the urine as five metabolites. The major routes of metabolism were N-glucuronidation, sulfation and oxidation with a significant amount of metabolic defluorination to give a number of ortho-ring hydroxylated metabolites. The oxidised metabolites were excreted as glucuronide and/or sulfate conjugates.
authors.affiliation: Biological Chemistry, Division of Biomedical Sciences, Imperial College of Science, Technology and Medicine, South Kensington, London, UK.
authors.forename: G B
authors.initials: GB
authors.lastname: Scarfe
authors.forename: E
authors.initials: E
authors.lastname: Clayton
authors.forename: I D
authors.initials: ID
authors.lastname: Wilson
authors.forename: J K
authors.initials: JK
authors.lastname: Nicholson
mesh_terms: D000814:Aniline Compounds / Q000008:administration & dosage / Q000652:urine*; D000818:Animals; D002851:Chromatography, High Pressure Liquid / Q000379:methods*; D005461:Fluorine; D007274:Injections, Intraperitoneal; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D008297:Male; D013058:Mass Spectrometry / Q000379:methods*; D051381:Rats; D013056:Spectrophotometry, Ultraviolet
chemical_list: C422583:2,3,5,6-tetrafluoro-4-trifluoromethylaniline; D000814:Aniline Compounds; D005461:Fluorine