Cargando…
Multinuclear NMR Measurements and DFT Calculations for Capecitabine Tautomeric Form Assignment in a Solution
The molecular structure of capecitabine (a widely applied prodrug of 5-fluorouracil) was studied by multinuclear NMR measurements and DFT quantum mechanical calculations. One or two tautomeric forms in a solution were detected depending on the solvent used. In the organic solvents, a mixture of two...
Autores principales: | Cmoch, Piotr, Krzeczyński, Piotr, Leś, Andrzej |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2018
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6016955/ https://www.ncbi.nlm.nih.gov/pubmed/29342859 http://dx.doi.org/10.3390/molecules23010161 |
Ejemplares similares
-
Solid-State Structural Properties of Alloxazine Determined
from Powder XRD Data in Conjunction with DFT-D Calculations
and Solid-State NMR Spectroscopy: Unraveling the Tautomeric Identity
and Pathways for Tautomeric Interconversion
por: Smalley, Christopher J. H., et al.
Publicado: (2021) -
NMR Assignments of Six Asymmetrical N-Nitrosamine Isomers Determined in an Active Pharmaceutical Ingredient by DFT Calculations
por: Guan, Hao-Yue, et al.
Publicado: (2022) -
Tautomerism in 11-Hydroxyaklavinone: A DFT Study
por: Türker, Lemi
Publicado: (2012) -
Tautomeric Forms of Metarhodopsin
por: Matthews, Rowena G., et al.
Publicado: (1963) -
DFT Calculations of (1)H NMR Chemical Shifts of Geometric Isomers of Conjugated Linolenic Acids, Hexadecatrienyl Pheromones, and Model Triene-Containing Compounds: Structures in Solution and Revision of NMR Assignments
por: Venianakis, Themistoklis, et al.
Publicado: (2021)