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Issue 4, 2013
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Temozolomide hydrochloride dihydrate

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The X-ray crystal structure of temozolomide hydrochloride shows that the dihydrate salt contains one neutral temozolomide, one temozolomide-H+Cl, one H3O+·Cl, and three water molecules. This is the first crystallographic evidence of a protonated form of the antitumour drug temozolomide. The protonation of water O and imidazole N of the drug are rationalized by calculated pKas.

Graphical abstract: Temozolomide hydrochloride dihydrate

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Article information

19 Sep 2012
13 Nov 2012
First published
13 Nov 2012

CrystEngComm, 2013,15, 666-671
Article type

Temozolomide hydrochloride dihydrate

N. J. Babu, P. Sanphui, N. K. Nath, U. B. R. Khandavilli and A. Nangia, CrystEngComm, 2013, 15, 666
DOI: 10.1039/C2CE26528A

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