Conformational Study of Two Polymorphs of Spiperone: Possible Consequences on the Interpretation of Pharmacological Activity

Azibi, M.; Draguetbrughmans, M.; Bouche, Raymond; Tinant, Bernard; Germain, Gabriel; Declercq, Jean‐Paul; Meerssche, M. Van

doi:10.1002/jps.2600720308

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Cited by 9 publications

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“…The angles between the two p-F-phenyl rings in III and IV are 78.1(2)°and 68.4(2)°, respectively. Although the X-ray crystal structures of two polymorphs of spiperone were reported previously, 14,15 both were of the free base form. The structures of these forms of spiperone are similar to that of spiperone hydrochloride, I.…”

Section: Resultsmentioning

confidence: 87%

A crystallographic and molecular modeling study of butyrophenones

Liang

Zhu

White

et al. 1998

Journal of Pharmaceutical Sciences

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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]

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Section: Resultsmentioning

confidence: 87%