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

作者：Bekoe Sandor L; Urmann David; Lakatos Andrea; Glaubitz Clemens; Schmidt Martin U^*

来源：Acta Crystallographica Section C-Crystal Structure Communications, 2012, 68: O144-O148.

DOI：10.1107/S0108270112005252

Nimustine hydrochloride [systematic name: 4-amino-5-({[N-(2-chloroethyl)-N-nitrosocarbamoyl]amino}methyl)-2-methylpyrimidin-1-ium chloride], C9H14ClN6O2+center dot 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.

• 出版日期2012-3