Chem
J-GLOBAL ID：201207088648278357   Nikkaji number：J3.113.354H

MK-6096

フィロレキサント
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/c1-16-4-8-20(23-26-10-3-11-27-23)21(12-16)24(30)29-14-18(6-5-17(29)2)15-31-22-9-7-19(25)13-28-22/h3-4,7-13,17-18H,5-6,14-15H2,1-2H3/t17-,18-/m1/s1
InChI key： NPFDWHQSDBWQLH-QZTJIDSGSA-N
SMILES： C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1c1ncccn1
Systematic name  (4)：
  • [2-(ピリミジン-2-イル)-5-メチルフェニル][(3R)-3α-[(5-フルオロ-2-ピリジルオキシ)メチル]-6β-メチルピペリジノ]ケトン
  • 2-[[1-[2-(ピリミジン-2-イル)-5-メチルベンゾイル]-2α-メチルピペリジン-5β-イル]メトキシ]-5-フルオロピリジン
  • 2-{2-[(2R,5R)-5-{[(5-フルオロピリジン-2-イル)オキシ]メチル}-2-メチルピペリジン-1-カルボニル]-4-メチルフェニル}ピリミジン
  • 2-{2-[(2R,5R)-5-{[(5-fluoropyridin-2-yl)oxy]methyl}-2-methylpiperidine-1-carbonyl]-4-methylphenyl}pyrimidine
Other name (5)：
  • [2-(Pyrimidine-2-yl)-5-methylphenyl][(3R)-3α-[(5-fluoro-2-pyridyloxy)methyl]-6β-methylpiperidino] ketone
  • MK-6096
  • 2-[[1-[2-(Pyrimidine-2-yl)-5-methylbenzoyl]-2α-methylpiperidine-5β-yl]methoxy]-5-fluoropyridine
  • フィロレキサント
  • Filorexant
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