Nimustine hydro\-chloride: the first crystal structure determination of a 2-chloro\-ethyl-N-nitro\-sourea hydro\-chloride derivative by X-ray powder diffraction and solid-state NMR
Nimustine hydrochloride systematic name: 4-amino-5-(N-(2-chloroethyl)-N-nitrosocarbamoylaminomethyl)-2-methylpyrimidin-1-ium chloride, C9H14ClN6O2+&\#183;Cl&\#18;, 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.
%0 Journal Article
%1 Bekoe2012
%A Bekö, Sándor L.
%A Urmann, David
%A Lakatos, Andrea
%A Glaubitz, Clemens
%A Schmidt, Martin U.
%D 2012
%I International Union of Crystallography
%J Acta Crystallographica Section C
%K crystal-structure-determination nimustine solid-state-nmr xrpd
%N 3
%P o144--o148
%R 10.1107/s0108270112005252
%T Nimustine hydro\-chloride: the first crystal structure determination of a 2-chloro\-ethyl-N-nitro\-sourea hydro\-chloride derivative by X-ray powder diffraction and solid-state NMR
%U http://dx.doi.org/10.1107/s0108270112005252
%V 68
%X Nimustine hydrochloride systematic name: 4-amino-5-(N-(2-chloroethyl)-N-nitrosocarbamoylaminomethyl)-2-methylpyrimidin-1-ium chloride, C9H14ClN6O2+&\#183;Cl&\#18;, 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.
@article{Bekoe2012,
abstract = {Nimustine hydrochloride [systematic name: 4-amino-5-({[N-(2-chloroethyl)-N-nitrosocarbamoyl]amino}methyl)-2-methylpyrimidin-1-ium chloride], C9H14ClN6O2+\&\#183;Cl\&\#18;, 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.},
added-at = {2019-03-11T21:00:05.000+0100},
author = {Bek{\"{o}}, S{\'{a}}ndor L. and Urmann, David and Lakatos, Andrea and Glaubitz, Clemens and Schmidt, Martin U.},
biburl = {https://www.bibsonomy.org/bibtex/2ee9b67a873a8b0d715c16f16c5632dcc/fairybasslet},
citeulike-article-id = {10385245},
citeulike-linkout-0 = {http://dx.doi.org/10.1107/s0108270112005252},
citeulike-linkout-1 = {http://scripts.iucr.org/cgi-bin/paper?S0108270112005252},
doi = {10.1107/s0108270112005252},
interhash = {b79535e41b72167fa8f9a0cfd342dc78},
intrahash = {ee9b67a873a8b0d715c16f16c5632dcc},
issn = {urn:issn:0108-2701},
journal = {Acta Crystallographica Section C},
keywords = {crystal-structure-determination nimustine solid-state-nmr xrpd},
month = mar,
number = 3,
pages = {o144--o148},
posted-at = {2013-09-20 14:03:06},
priority = {2},
publisher = {International Union of Crystallography},
timestamp = {2019-03-11T21:06:37.000+0100},
title = {{Nimustine hydro{\-}chloride: the first crystal structure determination of a 2-chloro{\-}ethyl-{\it N}-nitro{\-}sourea hydro{\-}chloride derivative by X-ray powder diffraction and solid-state NMR}},
url = {http://dx.doi.org/10.1107/s0108270112005252},
volume = 68,
year = 2012
}