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

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Abstract:

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.

Document Type: Research Article

DOI: https://doi.org/10.1107/S0108270112005252

Publication date: 2012-03-15

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