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Tautomerism of Warfarin: Combined Chemoinformatics, Quantum Chemical, and NMR Investigation
Warfarin, an important anticoagulant drug, can exist in solution in 40 distinct tautomeric forms through both prototropic tautomerism and ring–chain tautomerism. We have investigated all warfarin tautomers with computational and NMR approaches. Relative energies calculated at the B3LYP/6-311G+ +(d,p...
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| Publicado en: | J Org Chem |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
2015
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7724503/ https://ncbi.nlm.nih.gov/pubmed/26372257 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.joc.5b01370 |
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