Crystal Structure of an Antipsychotic Agent, 2-(4-Ethyl-1-piperazinyl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine (Blonanserin)

Kenji SUZUKI, Yoichi HIYAMA, Teruaki UNE, Iwao FUJIWARA
2002 Analytical Sciences  
Blonanserin (AD-5423) is a novel antipsychotic agent having both dopamine D2 and serotonin 5-HT2 receptor antagonist properties. 1 In the chemical structure, this compound is different from all of the currently known antipsychotics, such as haloperidol, chlorpromazine and risperidone. 2 To understand the structure-activity relationships of antipsycotics, an X-ray analysis of the title compound was undertaken. A colorless platelet crystal was obtained from a chloroform solution at room
more » ... e. The crystal and experimental data are given in Table 1 . The structure was solved by direct methods and refined by full-matrix least-squares methods with anisotropic thermal parameters for non-hydrogen atoms. Hydrogen atoms were placed at their idealized positions and included in a structure factor calculation with fixed isotropic thermal parameters. The least-squares weights were as follows: ω = [σ 2 (Fo) 2 + (0.0013P) 2 + 0.7458P] -1 , where P = (Fo 2
doi:10.2116/analsci.18.1289 pmid:12458724 fatcat:cgiqodq76vdj5bzjzvougsnsgm