A crystallographic and molecular modeling study of butyrophenones.
J Pharm Sci
; 87(12): 1496-501, 1998 Dec.
Article
in En
| MEDLINE
| ID: mdl-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]
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Collection:
01-internacional
Database:
MEDLINE
Main subject:
Pimozide
/
Spiperone
/
Models, Molecular
/
Crystallography
/
Fluspirilene
Language:
En
Journal:
J Pharm Sci
Year:
1998
Document type:
Article
Affiliation country:
United States