English   español  
Please use this identifier to cite or link to this item: http://hdl.handle.net/10261/34098
logo share SHARE logo core CORE   Add this article to your Mendeley library MendeleyBASE

Visualizar otros formatos: MARC | Dublin Core | RDF | ORE | MODS | METS | DIDL
Exportar a otros formatos:

The structure of Rimonabant in the solid state and in solution : An experimental and theoretical study

AuthorsAlkorta, Ibon ; Alvarado, Mario ; Elguero, José ; García-Granda, Santiago ; Goya, Pilar ; Jimeno, M. Luisa ; Menéndez-Taboada, Laura
KeywordsCB1 cannabinoid receptor
Molecular structure
X ray diffraction
Organic hydrazide
Experimental study
Density functional method
Nitrogen 15
Carbon 13
Hydrogen 1
Crystalline structure
Theoretical study
Solid state
Issue Date2009
CitationEuropean journal of medicinal chemistry 44(5) : 1864-1869 (2009)
AbstractThe X-ray molecular structure of Rimonabant methanol solvate has been determined together with the 1 H, 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.
Publisher version (URL)http://dx.doi.org/10.1016/j.ejmech.2008.10.037
Appears in Collections:(CENQUIOR) Artículos
(IQM) Artículos
Files in This Item:
There are no files associated with this item.
Show full item record
Review this work

Related articles:

WARNING: Items in Digital.CSIC are protected by copyright, with all rights reserved, unless otherwise indicated.