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14N NQR spectrum of Glybenclamide (aka Glibenclamide).

Authors :
Singh, Nadia
Stephenson, David
Source :
Hyperfine Interactions. Dec2024, Vol. 245 Issue 1, p1-12. 12p.
Publication Year :
2024

Abstract

The 14N nuclear quadrupole resonance (NQR) spectrum of glybenclamide has been recorded using cross relaxation Double Resonance. Glybenclamide, also known as glibenclamide or glyburide, belongs to the class of sulfonylurea drugs. It is used as antidiabetic medication solely, or combined with biguanides such as metformin, to treat Type 2 Diabetes Mellitus. Glybenclamide has three distinct nitrogen atoms, two belong to the sulfonylurea group and the third is an amide nitrogen. The 14N NQR experimental quadrupole coupling constants (χ) and asymmetry parameters (η) of glybenclamide have been compared to its calculated ab-initio and DFT values and the orientation of the principal EFG axes for each nitrogen atom has been assigned. The nitrogen atom adjacent to the sulfonyl group has the largest calculated χ, and by extension, the largest qzz EFG component. The experimental η and χ values for the amide nitrogen atom indicate the presence of intramolecular hydrogen bonding in the molecule. 14N NQR Spectrum of Glybenclamide (aka Glibenclamide) [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
03043843
Volume :
245
Issue :
1
Database :
Academic Search Index
Journal :
Hyperfine Interactions
Publication Type :
Academic Journal
Accession number :
182468561
Full Text :
https://doi.org/10.1007/s10751-024-01872-7