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

被引：12

作者：

Bekoe, Sandor L. ^{[1
]}

Urmann, David ^{[1
]}

Lakatos, Andrea ^{[2
]}

Glaubitz, Clemens ^{[2
]}

Schmidt, Martin U. ^{[1
]}

机构：

[1] Goethe Univ Frankfurt, Inst Inorgan & Analyt Chem, D-60438 Frankfurt, Germany

[2] Goethe Univ Frankfurt, Inst Biophys Chem, D-60438 Frankfurt, Germany

来源：

ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY | 2012年 / 68卷

关键词：

POTENTIAL ANTICANCER AGENTS; ACNU; CELLS; ACID; C-13;

D O I：

10.1107/S0108270112005252

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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.

引用

页码：O144 / O148

页数：5

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