Chem
J-GLOBAL ID：200907087542684184   Nikkaji number：J1.402.661D

TAK-456

1-[(1R,2R)-1-メチル-2-ヒドロキシ-2-(2,4-ジフルオロフェニル)-3-(1H-1,2,4-トリアゾール-1-イル)プロピル]-3-[4-(1H-テトラゾール-1-イル)フェニル]イミダゾリジン-2-オン
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： C22H21F2N9O2
Molecular formula furigana： C22-H21-F2-N9-O2
Molecular weight： 481.468
InChI： InChI=1S/C22H21F2N9O2/c1-15(22(35,11-30-13-25-12-27-30)19-7-2-16(23)10-20(19)24)31-8-9-32(21(31)34)17-3-5-18(6-4-17)33-14-26-28-29-33/h2-7,10,12-15,35H,8-9,11H2,1H3/t15-,22-/m1/s1
InChI key： JTNIHNJCRCYZSU-IVZQSRNASA-N
SMILES： C[C@@H](N1CCN(C1=O)c1ccc(cc1)n1cnnn1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
Systematic name  (3)：
  • 1-[(1R,2R)-1-メチル-2-ヒドロキシ-2-(2,4-ジフルオロフェニル)-3-(1H-1,2,4-トリアゾール-1-イル)プロピル]-3-[4-(1H-テトラゾール-1-イル)フェニル]イミダゾリジン-2-オン
  • 1-[(2R,3R)-3-(2,4-ジフルオロフェニル)-3-ヒドロキシ-4-(1H-1,2,4-トリアゾール-1-イル)ブタン-2-イル]-3-[4-(1H-1,2,3,4-テトラゾール-1-イル)フェニル]イミダゾリジン-2-オン
  • 1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-3-[4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]imidazolidin-2-one
Other name (2)：
  • 1-[(1R,2R)-1-Methyl-2-hydroxy-2-(2,4-difluorophenyl)-3-(1H-1,2,4-triazole-1-yl)propyl]-3-[4-(1H-tetrazole-1-yl)phenyl]imidazolidine-2-one
  • TAK-456
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