Temozolomide hydrochloride dihydrate

N. Jagadeesh Babu; Palash Sanphui; Naba K. Nath; U. B. Rao Khandavilli; Ashwini Nangia

doi:10.1039/C2CE26528A

Temozolomide hydrochloride dihydrate

N. Jagadeesh Babu,^a Palash Sanphui,^a Naba K. Nath,^a U. B. Rao Khandavilli^b and Ashwini Nangia*^a^b

* Corresponding authors

^a School of Chemistry, University of Hyderabad, Prof. C. R. Rao Road, Gachibowli, Central University PO, Hyderabad 500 046, India
E-mail: ashwini.nangia@gmail.com

^b Technology Business Incubator, University of Hyderabad, Prof. C. R. Rao Road, Gachibowli, Central University PO, Hyderabad 500 046, India

Abstract

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 pK_as.

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Publication details

The article was received on 19 Sep 2012, accepted on 13 Nov 2012 and first published on 13 Nov 2012

Article type: Communication

DOI: 10.1039/C2CE26528A

Citation: CrystEngComm, 2013,15, 666-671

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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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CrystEngComm

Temozolomide hydrochloride dihydrate

Abstract

Supplementary files

Publication details

Temozolomide hydrochloride dihydrate

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