An accurate 1-H, 13-C and 15-N NMR study on ofloxacin 1 is reported. The conformational properties of the two mobile regions (the benzoxazine and the piperazinyl ring) are studied and discussed. According to the spectroscopic data, the condensed benzoxazine ring shows a conformational consistent with the C-2 atom below the mean molecular plane and the 3-CH3 group in a pseudo-axial position and the piperazinyl group maintains a conformational favourable to N-1' conjugation with the aromatic ring. How multinuclear NMR spectroscopic studies may impact on biological activity and SAR investigations is discussed.

Multinuclear NMR spectroscopy structural properties of ofloxacin / Mucci, Adele; L., Malmusi; Vandelli, Maria Angela; M., Fresta; Schenetti, Luisa. - In: MEDICINAL CHEMISTRY RESEARCH. - ISSN 1054-2523. - STAMPA. - 1996:(1996), pp. 353-363.

Multinuclear NMR spectroscopy structural properties of ofloxacin

MUCCI, Adele;VANDELLI, Maria Angela;SCHENETTI, Luisa
1996

Abstract

An accurate 1-H, 13-C and 15-N NMR study on ofloxacin 1 is reported. The conformational properties of the two mobile regions (the benzoxazine and the piperazinyl ring) are studied and discussed. According to the spectroscopic data, the condensed benzoxazine ring shows a conformational consistent with the C-2 atom below the mean molecular plane and the 3-CH3 group in a pseudo-axial position and the piperazinyl group maintains a conformational favourable to N-1' conjugation with the aromatic ring. How multinuclear NMR spectroscopic studies may impact on biological activity and SAR investigations is discussed.
1996
1996
353
363
Multinuclear NMR spectroscopy structural properties of ofloxacin / Mucci, Adele; L., Malmusi; Vandelli, Maria Angela; M., Fresta; Schenetti, Luisa. - In: MEDICINAL CHEMISTRY RESEARCH. - ISSN 1054-2523. - STAMPA. - 1996:(1996), pp. 353-363.
Mucci, Adele; L., Malmusi; Vandelli, Maria Angela; M., Fresta; Schenetti, Luisa
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11380/458510
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