Investigation of N-(2-oxo-2H-chromen-3-carbonyl)cytisine's Molecular Structure in Solution.

ABSTRACT: Cytisine and coumarin derivatives are promising for the creation of new drugs with antiarrhythmic, antiepileptic, antidiabetic, anti-inflammatory, and antimicrobial effects. In this study, the molecular structure of the cytisine and coumarin derivative in solution, a recently synthesized substance N-(2-oxo-2H-chromen-3-carbonyl)cytisine, was studied by NMR and UV-Vis absorption spectroscopies accompanied by a theoretical study based on density functional theory. The existence of four stable conformers associated with the rotation of the cytisine part relative to the coumarin part due to a sufficiently flexible intermediate part has been demonstrated. Their energy and concentrations were estimated. In the 1H and 13C NMR spectra, peaks were found that correspond to individual conformers and

SUBMITTER: Kopbalina K 

PROVIDER: S-EPMC12565994 | biostudies-literature | 2025 Oct

REPOSITORIES: biostudies-literature