title: [Identification of the metabolites of penehyclidine hydrochloride raceme in rats by LC-MS/MS and ion cluster].
abstract: OBJECTIVE
  To study the metabolites of penehyclidine hydrochloride (PH) raceme, a new anticholinerigic drug invented by the Institute of Pharmacology and Toxicology, Academy of Military Medical Sciences.
  
  
  METHODS
  Three healthy rat urine samples were collected within 24 h after a single i.m. dose of PH raceme and PH-d5 [(5 + 5) mg.kg-1] simultaneously. The eight metabolites of PH raceme were identified by the methods of LC-MS/MS, GC-MS, FAB-MS and the stable isotope ion cluster. Mass spectrometry was operated in the positive mode for the method of LC-MS/MS.
  
  
  RESULTS
  M1 and M1* were identified as the oxygenated products of PH in the cyclopentyl group; M2 and M2* were as the hydroxylated products of PH in the cyclopentyl group; M3 and M3* were as the oxygented and hydroxylated products of PH at the meta-position of cyclopentyl group; M4 and M4* were identified as the dihydroxylated metabolites of PH, the hydroxylated position were at the cyclopentyl group and quiniuclidinol ring of PH. Among them, M1 and M1*, M2 and M2*, M3 and M3*, M4 and M4* were the isomers of each other.
  
  
  CONCLUSIONS
  These characteristics can be used for future structure elucidation in studies of the metabolites of PH optical isomers. The structure data of PH metabolites provide important information for the clinical use and for developing better anticholinerigic drug.
authors.affiliation: Institute of Pharmacology and Toxicology, Academy of Military Medical Sciences, Beijing 100850, China. xurmd@163.net
authors.forename: Ming
authors.initials: M
authors.lastname: Xue
authors.forename: Jin-Xiu
authors.initials: JX
authors.lastname: Ruan
authors.forename: Shu-lan
authors.initials: SL
authors.lastname: Yuan
authors.forename: Zhen-qing
authors.initials: ZQ
authors.lastname: Zhang
authors.forename: Jian-zhong
authors.initials: JZ
authors.lastname: Qiao
authors.forename: Ji-fen
authors.initials: JF
authors.lastname: Guo
mesh_terms: D000818:Animals; D002800:Cholinesterase Inhibitors / Q000737:chemistry / Q000378:metabolism* / Q000652:urine; D002851:Chromatography, High Pressure Liquid; D008297:Male; D015394:Molecular Structure; D011812:Quinuclidines / Q000737:chemistry / Q000378:metabolism* / Q000652:urine; D051381:Rats; D017208:Rats, Wistar; D021241:Spectrometry, Mass, Electrospray Ionization; D013237:Stereoisomerism
chemical_list: D002800:Cholinesterase Inhibitors; D011812:Quinuclidines; C486140:penehyclidine