Literature DB >> 22219974

Paliperidone: 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]eth-yl}-9-hy-droxy-2-methyl-1,6,7,8,9,9a-hexa-hydro-pyrido[1,2-a]pyrimidin-4-one.

Richard Betz, Thomas Gerber, Eric Hosten, Alaloor S Dayananda, Hemmige S Yathirajan, Saji Thomas.   

Abstract

The title compound (also known as 9-hy-droxy-risperidone), C(23)H(27)FN(4)O(3), is a heterocyclic compound with manifold pharmacological properties. The hy-droxy group shows disorder over two positions, with site-occupancy factors of 0.856 (2) and 0.144 (2). The piperidine ring adopts a chair conformation, while the annulated ring bearing the hy-droxy group is present in a half-chair conformation. Classical O-H⋯O hydrogen bonds as well as C-H⋯N contacts connect the mol-ecules into undulating sheets lying perpendicular to the crystallographic b axis. The shortest centroid-centroid distance between two centers of gravity is 3.5867 (8) Å and is apparent between the benzoxazole moiety and the six-membered ring bearing the keto substituent.

Entities:  

Year:  2011        PMID: 22219974      PMCID: PMC3247356          DOI: 10.1107/S160053681104164X

Source DB:  PubMed          Journal:  Acta Crystallogr Sect E Struct Rep Online        ISSN: 1600-5368


  6 in total

1.  A short history of SHELX.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr A       Date:  2007-12-21       Impact factor: 2.290

2.  Graph-set analysis of hydrogen-bond patterns in organic crystals.

Authors:  M C Etter; J C MacDonald; J Bernstein
Journal:  Acta Crystallogr B       Date:  1990-04-01

Review 3.  The pharmacokinetics of paliperidone versus risperidone.

Authors:  Jose de Leon; Gary Wynn; Neil B Sandson
Journal:  Psychosomatics       Date:  2010 Jan-Feb       Impact factor: 2.386

4.  4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-[2-(2-methyl-4-oxo-6,7,8,9-tetra-hydro-4H-pyrido[1,2-a]pyrimidin-3-yl)eth-yl]piperidinium nitrate.

Authors:  Yu Sun; Huai-Hong Zhang
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2009-06-20

5.  Safety and efficacy of paliperidone extended-release in acute and maintenance treatment of schizophrenia.

Authors:  Edoardo Spina; Rosalia Crupi
Journal:  J Cent Nerv Syst Dis       Date:  2011-02-14

6.  Structure validation in chemical crystallography.

Authors:  Anthony L Spek
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2009-01-20
  6 in total
  1 in total

1.  4-(Pyrimidin-2-yl)piperazin-1-ium (E)-3-carb-oxy-prop-2-enoate.

Authors:  Thammarse S Yamuna; Manpreet Kaur; Jerry P Jasinski; H S Yathirajan
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2014-05-24
  1 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.