Chem
J-GLOBAL ID：201007066696327507   Nikkaji number：J2.866.403F

ACT-078573

アルモレキサント
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： C29H31F3N2O3
Molecular formula furigana： C29-H31-F3-N2-O3
Molecular weight： 512.573
InChI： InChI=1S/C29H31F3N2O3/c1-33-28(35)27(20-7-5-4-6-8-20)34-16-15-21-17-25(36-2)26(37-3)18-23(21)24(34)14-11-19-9-12-22(13-10-19)29(30,31)32/h4-10,12-13,17-18,24,27H,11,14-16H2,1-3H3,(H,33,35)/t24-,27+/m0/s1
InChI key： DKMACHNQISHMDN-RPLLCQBOSA-N
SMILES： CNC(=O)[C@H](N1CCc2cc(OC)c(OC)cc2[C@@H]1CCc1ccc(cc1)C(F)(F)F)c1ccccc1
Systematic name  (4)：
  • (αR,1S)-3,4-ジヒドロ-6,7-ジメトキシ-N-メチル-α-フェニル-1-[4-(トリフルオロメチル)フェネチル]イソキノリン-2(1H)-アセトアミド
  • (R)-N-メチル-2-フェニル-2-[1α-[4-(トリフルオロメチル)フェネチル]-6,7-ジメトキシ-3,4-ジヒドロイソキノリン-2(1H)-イル]アセトアミド
  • (2R)-2-[(1S)-6,7-ジメトキシ-1-{2-[4-(トリフルオロメチル)フェニル]エチル}-1,2,3,4-テトラヒドロイソキノリン-2-イル]-N-メチル-2-フェニルアセトアミド
  • (2R)-2-[(1S)-6,7-dimethoxy-1-{2-[4-(trifluoromethyl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinolin-2-yl]-N-methyl-2-phenylacetamide
Other name (5)：
  • (αR,1S)-3,4-Dihydro-6,7-dimethoxy-N-methyl-α-phenyl-1-[4-(trifluoromethyl)phenethyl]isoquinoline-2(1H)-acetamide
  • ACT-078573
  • (R)-N-Methyl-2-phenyl-2-[1α-[4-(trifluoromethyl)phenethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-yl]acetamide
  • アルモレキサント
  • Almorexant
CAS registry number： 871224-64-5
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