Nuclear Magnetic Resonance Investigations of Calcium Antagonist Drugs. II: Conformational and Dynamic Features of Verapamil in l2H6lDMSO

التفاصيل البيبلوغرافية
العنوان: Nuclear Magnetic Resonance Investigations of Calcium Antagonist Drugs. II: Conformational and Dynamic Features of Verapamil in l2H6lDMSO
المؤلفون: G. Valensin, Carlo Botre, Franco Botre, Giancarlo Scibona, Antonella Maccotta, Elena Gaggelli
المصدر: Journal of Pharmaceutical Sciences. 80:586-589
بيانات النشر: Elsevier BV, 1991.
سنة النشر: 1991
مصطلحات موضوعية: Alkane, chemistry.chemical_classification, Carbon Isotopes, Magnetic Resonance Spectroscopy, Chemical Phenomena, Molecular model, Chemistry, Physical, Chemistry, Spectrum Analysis, Relaxation (NMR), Molecular Conformation, Pharmaceutical Science, chemistry.chemical_element, Aromaticity, Calcium, Calcium Channel Blockers, Nuclear magnetic resonance, Verapamil, Proton NMR, medicine, Molecule, Dimethyl Sulfoxide, Protons, medicine.drug
الوصف: Conformational features of verapamil in [2H6]DMSO have been delineated by measuring 13C and 1H NMR parameters. Spin-lattice relaxation rates were interpreted within the frame of an extended alkane chain with segmental motions hampered by the aromatic substituents at both ends. The effective correlation times were all evaluated in the range 0.16-0.22 ns at 293 K. The aromatic rings were found to lie somewhat out-of-plane with the alkane chain. The NMR data were used to construct a Dreiding model of the most probable spatial arrangement and a molecular modeling system was utilized to represent the "preferred" conformation of verapamil in solution.
تدمد: 0022-3549
DOI: 10.1002/jps.2600800618
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::812bcbc5a13e466fb52e718f18080786
https://doi.org/10.1002/jps.2600800618
Rights: OPEN
رقم الانضمام: edsair.doi.dedup.....812bcbc5a13e466fb52e718f18080786
قاعدة البيانات: OpenAIRE
الوصف
تدمد:00223549
DOI:10.1002/jps.2600800618