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Structural characterization of PX-S

Marta Łaszcz ,  Kinga Trzcinska ,  Marek Kubiszewski ,  Bożenna A. Kosmacińska ,  Magdalena M. Glice 

Instytut Farmaceutyczny (PRI), Rydygiera 8, Warszawa 01-793, Poland


Apart from polymorphs, hydrates of active pharmaceutical ingredient are highly desirable in the pharmaceutical industry. In hydrates the small water molecule can fill structural voids, as well as by acting as a hydrogen donor and/or acceptor it may structuralize a crystal majority into stable crystal structures [1]. Due to high solubility and biocompatibility, amine hydrochlorides are often chosen as drug products. They can easily form hydrates because charged ammonium and chloride ions are in proximity to water molecules through the hydrogen bonds [1, 2].

PX-S is a synthetic aminobenzothiazole derivative. The addition of the N-propylamino group makes PX-S a potent dopamine receptor antagonist [3].
PX-S monohydrate was characterized by nuclear magnetic resonance and X-ray single crystal diffraction methods. It crystallizes in the space group P212121 with unit cell parameters: a=7.0939(2) Å, b=15.1763(3) Å, c=27.2761(6) Å, α=β=γ=90 o.

[1] S.R. Byrn, R.R. Pfeiffer and J.G. Stowell, Solid-State Chemistry of Drugs, second ed., SSCI, Inc., West Lafayette, Indiana, 1999.
[2] A. Obata, M. Yoshimori, K. Yamada and H. Kawazura, Bull. Chem. Soc. Jap., 58 (1985).
[3] E. Lorenc-Koci, S. Wolfarth, Eur. J. Pharmacol., 385 (1999) 39-46.


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Submitted: 2010-03-15 12:34
Revised:   2010-04-08 12:02