Chem
J-GLOBAL ID：200907062669794954   Nikkaji number：J458.187C

Ocaperidone

オカペリドン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C24H25FN4O2
Molecular formula furigana： C24-H25-F-N4-O2
Molecular weight： 420.488
InChI： InChI=1S/C24H25FN4O2/c1-15-4-3-10-29-23(15)26-16(2)19(24(29)30)9-13-28-11-7-17(8-12-28)22-20-6-5-18(25)14-21(20)31-27-22/h3-6,10,14,17H,7-9,11-13H2,1-2H3
InChI key： ZZQNEJILGNNOEP-UHFFFAOYSA-N
SMILES： Cc1cccn2c1nc(C)c(CCN1CCC(CC1)c1noc3cc(F)ccc13)c2=O
Systematic name  (3)：
  • 3-[2-[4-(6-フルオロ-1,2-ベンゾイソオキサゾール-3-イル)ピペリジノ]エチル]-2,9-ジメチル-4H-ピリド[1,2-a]ピリミジン-4-オン
  • 3-{2-[4-(6-フルオロ-1,2-ベンゾオキサゾール-3-イル)ピペリジン-1-イル]エチル}-2,9-ジメチル-4H-ピリド[1,2-a]ピリミジン-4-オン
  • 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-2,9-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
Other name (4)：
  • オカペリドン
  • Ocaperidone
  • R-79598
  • 3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidino]ethyl]-2,9-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
CAS registry number： 129029-23-8
KEGG DRUG： D02675
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