Please use this identifier to cite or link to this item: http://hdl.handle.net/10261/34098
Share/Export:
logo share SHARE logo core CORE BASE
Visualizar otros formatos: MARC | Dublin Core | RDF | ORE | MODS | METS | DIDL | DATACITE
Title

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

AuthorsAlkorta, Ibon CSIC ORCID ; Alvarado, Mario CSIC; Elguero, José CSIC ORCID; García-Granda, Santiago CSIC ORCID ; Goya, Pilar CSIC ORCID; Jimeno, M. Luisa CSIC ORCID; Menéndez-Taboada, Laura
KeywordsCB1 cannabinoid receptor
Antagonist
Molecular structure
X ray diffraction
Organic hydrazide
Experimental study
Density functional method
Nitrogen 15
Carbon 13
Hydrogen 1
Crystalline structures
Theoretical study
Solid state
Rimonabant
Issue Date2009
PublisherElsevier
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
URI10261/34098
DOI10.1016/j.ejmech.2008.10.037
ISSN0223-5234
Appears in Collections:(CENQUIOR) Artículos
(IQM) Artículos

Show full item record
Review this work

SCOPUSTM   
Citations

9
checked on May 22, 2022

WEB OF SCIENCETM
Citations

8
checked on May 17, 2022

Page view(s)

245
checked on May 24, 2022

Google ScholarTM

Check

Altmetric

Dimensions


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