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Repositorio de la Universidad de Oviedo. > Producción Bibliográfica de UniOvi: RECOPILA > Artículos >

Please use this identifier to cite or link to this item: http://hdl.handle.net/10651/5671

Title: The structure of Rimonabant in the solid state and in solution: An experimental and theoretical study
Author(s): Alkorta Osoro, Ibón
Alvarado Narváez, Mario
Elguero Bertolini, José
García-Granda, Santiago
Goya Laza, Pilar
Jimeno Herránz, María Luisa
Menéndez Taboada, Laura
Keywords: Rimonabant; X-Ray Structure; 1h Nmr; 13c Nmr; 15n Nmr; Dft Calculations; Giao Calculations
Issue date: 2009
Publisher version: http://dx.doi.org/10.1016/j.ejmech.2008.10.037
Citation: European Journal of Medicinal Chemistry, 44(5), P. 1864-1869 (2009); doi:10.1016/j.ejmech.2008.10.037
Format extent: p. 1864-1869
Abstract: The X-ray molecular structure of Rimonabant methanol solvate has been determined together with the 1H, 13C and 15N NMR spectra in acetone solution. B3YP/6-311++G(d,p) calculations have been performed out to determine two minimum energy conformations, on these geometries GIAO calculations were carried out to obtain the corresponding absolute shieldings that were compared with the experimental chemical shifts.
URI: http://hdl.handle.net/10651/5671
ISSN: 0223-5234
Local identifier: 20090622
Appears in Collections:Artículos

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