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Structural elucidation of two major metabolites of crisnatol in the rat by NMR and mass spectrometry
Author(s) -
Shockcor John P.,
Patel Dipak K.,
Johnson Robert L.,
Taylor Lester C. E.,
Chandrasurin Pisal
Publication year - 1992
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1260300303
Subject(s) - chemistry , metabolite , mass spectrometry , nuclear magnetic resonance spectroscopy , stereochemistry , chromatography , biochemistry
Abstract NMR and mass spectral data are presented in support of the structures of two metabolites of crisnatol, 2‐[(6‐chrysenylmethyl)amino]‐2‐methylpropane‐1,3‐diol, a novel DNA intercalator currently undergoing Phase II clinical trials as an anticancer agent. Elucidation of the structures of the major rat urinary metabolite as trans ‐1,2‐dihydro‐1,2‐dihydroxycrisnatol, and the major rat fecal metabolite as 1‐hydroxycrisnatol, using 2D NMR techniques are described.