title: Assignments of 1H and 13C NMR spectral data for ondansetron and its two novel metabolites, 1-hydroxy-ondansetron diastereoisomers.
abstract: Assignments of 1H and 13C NMR chemical shifts were made by means of heteronuclear single quantum coherence (HSQC) and heteronuclear multiple bond correlation (HMBC) experiments for ondansetron, and by means of 1H-1H correlation spectroscopy (1H-1H COSY) and two-dimensional nuclear Overhauser effect spectroscopy (NOESY) experiments for two novel metabolites (M1 and M2) of ondansetron. These two metabolites were isolated for the first time from Mucor circinelloides.
authors.affiliation: Laboratory of Drug Metabolism and Pharmacokinetics, Shenyang Pharmaceutical University, Wenhua Road 103, Shenyang 110016, People's Republic of China.
authors.forename: Mingyu
authors.initials: M
authors.lastname: Duan
authors.forename: Haihua
authors.initials: H
authors.lastname: Huang
authors.forename: Xinnan
authors.initials: X
authors.lastname: Li
authors.forename: Xiaoyan
authors.initials: X
authors.lastname: Chen
authors.forename: Dafang
authors.initials: D
authors.lastname: Zhong
mesh_terms: D002247:Carbon Isotopes / Q000032:analysis; D006859:Hydrogen / Q000032:analysis; D009682:Magnetic Resonance Spectroscopy; D015394:Molecular Structure; D009089:Mucor / Q000378:metabolism; D017294:Ondansetron / Q000031:analogs & derivatives* / Q000737:chemistry* / Q000302:isolation & purification / Q000378:metabolism; D013237:Stereoisomerism
chemical_list: C522484:1-hydroxyondansetron; D002247:Carbon Isotopes; D017294:Ondansetron; D006859:Hydrogen