01883nas a2200205   4500008004100000022001400041245012100055210006900176260000800245300001200253490000700265520114800272653001601420653002801436653002001464653001401484100002701498700002301525856012901548       2026                        eng d  a0749-158100aDistinguishing hydrogen bonding in structurally similar pharmaceutical compounds with 1H-14N HMQC MAS NMR at 100 kHz0 aDistinguishing hydrogen bonding in structurally similar pharmace  cAUG  a682-6890 v643 a<p>
	Solid-state NMR experiments provide valuable insights into the structure of pharmaceutical compounds, many of which contain nitrogen. Recent literature indicates that the indirect detection of 14N offers significant advantages for structural analysis, particularly when using two-dimensional 1H-14N HMQC experiments. The advantage of these experiments is that they allow us to rapidly collect information about the hydrogen bonding interaction with a minimal amount of the compound. In our study, we have carried out 1H-14N HMQC experiments on structurally similar pharmaceutical compounds sorafenib and regorafenib monohydrate to explore the hydrogen bonding interactions and differentiate different nitrogen signals which are difficult to obtain using 15N solid-state NMR experiments on unlabeled compounds. Our findings enable us to distinguish between intramolecular and intermolecular hydrogen bonding interactions and identify different nitrogen atoms in their structures. Thus, our results show that the 1H-14N HQMC experiments provide a rapid and effective method for distinguishing different hydrogen bonding interactions.</p>
10a1H-14N HMQC10aregorafenib monohydrate10aSolid state NMR10asorafenib1 aHareendran, Chaithanya1 aAjithkumar, T., G.  uhttps://library.ncl.res.in/content/distinguishing-hydrogen-bonding-structurally-similar-pharmaceutical-compounds-1h-14n-hmqc