title: Nuclear magnetic resonance spectra and molecular structure of mesna.
abstract: Mesna (2-mercapto-ethane sulfonic acid sodium salt) is used as a reliably acting uroprotector in cancer chemotherapy with oxazaphosphorine cytostatics. 1H-, 13C[1H]- and C,H-COSY-NMR-spectra are analyzed. In solution state mesna exists predominantly in a trans-rotameric form. These findings are supported by hypothetical gas-phase-structures of mesna, simulated via the program system MOPAC.
authors.affiliation: Institut für Anorganische Chemie und Strukturchemie, Heinrich-Heine-Universität Düsseldorf, Fed. Rep. of Germany.
authors.forename: G
authors.initials: G
authors.lastname: Hägele
authors.forename: M
authors.initials: M
authors.lastname: Batz
authors.forename: R
authors.initials: R
authors.lastname: Peters
authors.forename: U
authors.initials: U
authors.lastname: Niemeyer
authors.forename: J
authors.initials: J
authors.lastname: Engel
mesh_terms: D009682:Magnetic Resonance Spectroscopy; D008623:Mercaptoethanol / Q000031:analogs & derivatives*; D015080:Mesna / Q000032:analysis*; D008956:Models, Chemical; D015394:Molecular Structure
chemical_list: D008623:Mercaptoethanol; D015080:Mesna