✦ LIBER ✦
ChemInform Abstract: Conformational Distribution of the Potentially Neurotoxic Metabolite of Haloperidol, HPP+, by NMR Spectroscopy, X-Ray Crystallography, and Molecular Dynamics Simulations.
✍ Scribed by F. OOMS; J. WOUTERS; F. DURANT; N. JUN. CASTAGNOLI; C. VAN'T LAND; G. DOCKENDOLF; T. GLASS; C. J. VAN DER SCHYF
- Publisher
- John Wiley and Sons
- Year
- 2010
- Weight
- 31 KB
- Volume
- 29
- Category
- Article
- ISSN
- 0931-7597
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✦ Synopsis
1998 structure structure (organic substances) K 9000
13 -035
Conformational Distribution of the Potentially Neurotoxic Metabolite of Haloperidol, HPP + , by NMR Spectroscopy, X-Ray Crystallography, and Molecular Dynamics Simulations.
-The chlorophenyl and pyridinium rings of neurotoxic pyridinium metabolite HPP + (I) are not strictly coplanar and the butyryl chain shows a high degree of mobility. The most stable structures adopt conformations corresponding either to gauche or trans rotamers. -(OOMS, F.;