Chem
J-GLOBAL ID：201807005363307185   Nikkaji number：J3.704.571C

Aripiprazole N-oxide

アリピプラゾールN-オキシド
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： C23H27Cl2N2[N+]O2[O-]
Molecular formula furigana： C23-H27-CL2-N3-O3
Molecular weight： 464.390
InChI： InChI=1S/C23H27Cl2N3O3/c24-19-4-3-5-21(23(19)25)27-10-13-28(30,14-11-27)12-1-2-15-31-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
InChI key： ZNYNDJDSFMRJPS-UHFFFAOYSA-N
SMILES： [O-][N+]1(CCCCOc2ccc3CCC(=O)Nc3c2)CCN(CC1)c1cccc(Cl)c1Cl
Systematic name  (3)：
  • 4-(2,3-ジクロロフェニル)-1-[4-[(2-オキソ-1,2,3,4-テトラヒドロキノリン-7-イル)オキシ]ブチル]ピペラジン1-オキシド
  • 4-(2,3-ジクロロフェニル)-1-{4-[(2-オキソ-1,2,3,4-テトラヒドロキノリン-7-イル)オキシ]ブチル}ピペラジン-1-イウム-1-オラート
  • 4-(2,3-dichlorophenyl)-1-{4-[(2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)oxy]butyl}piperazin-1-ium-1-olate
Other name (3)：
  • 4-(2,3-Dichlorophenyl)-1-[4-[(2-oxo-1,2,3,4-tetrahydroquinoline-7-yl)oxy]butyl]piperazine 1-oxide
  • アリピプラゾールN-オキシド
  • Aripiprazole N-oxide
Thsaurus map：
Thesaurus Map

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