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Octenidine dihydrochloride is one of the most common active pharmaceutical incredients with a disinfectant effect on superficial wounds. In this paper we describe the mesomeric behaviour of Octenidine dihydrochloride by comparison with H, C and N NMR shift data. With various NMR experiments, the possible mesomeric structures are studied and it is shown that an E/Z-isomerization plays a role, corresponding to a hindered rotation of the heteroaromatic pyridine ring. In this context, NIR spectroscopy and principal component analysis emphasize the occurrence of a modified temperature-dependent spectral behaviour of Octenidine dihydrochloride. In addition, we made a detailed study of the NMR-characteristics of Octenidine dihydrochloride using 1Dand 2D-experiments.

arkivoc

Temperature dependent analysis of Octenidine (N,N´-(decane-1,10-diyldipyridin-1-yl-4-ylidene)dioctan-1-amine) dihydrochloride by NMR and NIR spectroscopy