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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...

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Pubblicato in:Molecules
Autori principali: Cmoch, Piotr, Krzeczyński, Piotr, Leś, Andrzej
Natura: Artigo
Lingua:Inglês
Pubblicazione: MDPI 2018
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC6016955/
https://ncbi.nlm.nih.gov/pubmed/29342859
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules23010161
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