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A Crystallographic and Molecular Modeling Study of Butyrophenones

A Crystallographic and Molecular Modeling Study of Butyrophenones

L Liang, N Zhu, J White, C Brown, C L Klein-Stevens

J Pharm Sci. 1998 Dec;87(12):1496-501.

PMID: 10189255

Abstract:

The X-ray crystal structures of four butyrophenone analogues have been completed and are reported herein. These include spiperone hydrochloride (I), N-methylspiperone hydrochloride (II), pimozide (III), and fluspirilene (IV). These structures were compared to other structurally similar molecules with similar pharmacological activity. In addition, a molecular modeling study was done in order to determine the low energy conformations of these molecules. It was found that calculations of parameters that describe the molecular conformations showed that all four molecules were structurally similar. Crystallographic data: [see text]

Chemicals Related in the Paper:

Catalog Number	Product Name	Structure	CAS Number	Price
AP87539193	N-Methylspiperone hydrochloride		87539-19-3	Price

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