Assignments of 1H and 13C NMR spectral data for ondansetron and its two novel metabolites, 1-hydroxy-ondansetron diastereoisomers.
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.
Duan
Mingyu
M
Laboratory of Drug Metabolism and Pharmacokinetics, Shenyang Pharmaceutical University, Wenhua Road 103, Shenyang 110016, People's Republic of China.
Huang
Haihua
H
Li
Xinnan
X
Chen
Xiaoyan
X
Zhong
Dafang
D
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
C522484:1-hydroxyondansetron; D002247:Carbon Isotopes; D017294:Ondansetron; D006859:Hydrogen