title: Application of directly coupled high performance liquid chromatography-NMR-mass spectometry and 1H NMR spectroscopic studies to the investigation of 2,3-benzofuran metabolism in Sprague-Dawley rats.
abstract: The urinary excretion of metabolites of 2,3-benzofuran was studied in Sprague-Dawley rats (n = 5) given a single dose of 150 mg/kg i.p. Urine samples were collected at defined intervals up to 7 days postdose and analyzed using (1). H NMR and directly coupled high performance liquid chromatography (HPLC)-NMR, HPLC-(mass spectrometry) MS and HPLC-MS-NMR methods. The principal metabolites were determined to be 2-hydroxyphenylacetic acid and 2-(2-hydroxyethyl)phenyl hydrogen sulfate, representing 24.3 +/- 6.0% and 19.6 +/- 6.4% of the dose, respectively. This indicates that metabolism of benzofuran to the polar species excreted in urine involves cleavage of the furan ring.
authors.affiliation: Department of Biological Chemistry, Faculty of Medicine, Imperial College of Science, Technology, and Medicine, London, United Kingdom.
authors.forename: John C
authors.initials: JC
authors.lastname: Connelly
authors.forename: Susan C
authors.initials: SC
authors.lastname: Connor
authors.forename: Soria
authors.initials: S
authors.lastname: Monte
authors.forename: Nigel J C
authors.initials: NJ
authors.lastname: Bailey
authors.forename: Nathan
authors.initials: N
authors.lastname: Borgeaud
authors.forename: Elaine
authors.initials: E
authors.lastname: Holmes
authors.forename: Jeff
authors.initials: J
authors.lastname: Troke
authors.forename: Jeremy K
authors.initials: JK
authors.lastname: Nicholson
authors.forename: Claire L
authors.initials: CL
authors.lastname: Gavaghan
mesh_terms: D000818:Animals; D001572:Benzofurans / Q000032:analysis* / Q000737:chemistry / Q000378:metabolism*; D002851:Chromatography, High Pressure Liquid / Q000379:methods; D008297:Male; D013058:Mass Spectrometry / Q000379:methods; D019906:Nuclear Magnetic Resonance, Biomolecular / Q000379:methods; D051381:Rats; D017207:Rats, Sprague-Dawley
chemical_list: D001572:Benzofurans; C105430:benzofuran