Nimustine hydrochloride: the first crystal structure determination of a 2-chloroethyl-N-nitrosourea hydrochloride derivative by X-ray powder diffraction and solid-state NMR.

Nimustine hydro­chloride [systematic name: 4-amino-5-({[N-(2-chloro­ethyl)-N-nitroso­carbamoyl]­amino}­methyl)-2-methyl­pyrimidin-1-ium chloride], C9H14ClN6O2+·Cl−, is a prodrug of CENU (chloro­ethyl­nitroso­urea) and is used as a cytostatic agent in cancer therapy. Its crystal structure was determined from laboratory X-ray powder diffraction data. The proton­ation at an N atom of the pyrimidine ring was established by solid-state NMR spectroscopy.