Chem
J-GLOBAL ID:200907048366573359   Nikkaji number:J413.621G

Hydroxynefazodone

ヒドロキシネファゾドン
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: C25H32ClN5O3
Molecular formula furigana: C25-H32-CL-N5-O3
Molecular weight: 486.010
InChI: InChI=1S/C25H32ClN5O3/c1-20(32)24-27-31(25(33)30(24)17-18-34-23-9-3-2-4-10-23)12-6-11-28-13-15-29(16-14-28)22-8-5-7-21(26)19-22/h2-5,7-10,19-20,32H,6,11-18H2,1H3
InChI key: VKGQYGXMUUBRBD-UHFFFAOYSA-N
SMILES: CC(O)c1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
Systematic name  (3):
  • 2-[3-[4-(3-クロロフェニル)-1-ピペラジニル]プロピル]-2,4-ジヒドロ-5-(1-ヒドロキシエチル)-4-(2-フェノキシエチル)-3H-1,2,4-トリアゾール-3-オン
  • 1-{3-[4-(3-クロロフェニル)ピペラジン-1-イル]プロピル}-3-(1-ヒドロキシエチル)-4-(2-フェノキシエチル)-4,5-ジヒドロ-1H-1,2,4-トリアゾール-5-オン
  • 1-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-3-(1-hydroxyethyl)-4-(2-phenoxyethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
Other name (3):
  • ヒドロキシネファゾドン
  • Hydroxynefazodone
  • 2-[3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl]-2,4-dihydro-5-(1-hydroxyethyl)-4-(2-phenoxyethyl)-3H-1,2,4-triazol-3-one
CAS registry number: 98159-82-1
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