Chem
J-GLOBAL ID：200907056530346060   Nikkaji number：J1.558.921C

1-[(2R,3R)-2-Hydroxy-2-(2,4-difluorophenyl)-3-[2-oxo-3-[4-(1H-tetrazole-1-yl)phenyl]-1-imidazolidinyl]butyl]-4-(pivaloyloxymethyl)-1H-1,2,4-triazole-4-ium

1-[(2R,3R)-2-ヒドロキシ-2-(2,4-ジフルオロフェニル)-3-[2-オキソ-3-[4-(1H-テトラゾール-1-イル)フェニル]-1-イミダゾリジニル]ブチル]-4-(ピバロイルオキシメチル)-1H-1,2,4-トリアゾール-4-イウム
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： C28H32F2N8[N+]O4
Molecular formula furigana： C28-H32-F2-N9-O4
Molecular weight： 596.619
InChI： InChI=1S/C28H32F2N9O4/c1-19(37-11-12-38(26(37)41)21-6-8-22(9-7-21)39-15-31-33-34-39)28(42,23-10-5-20(29)13-24(23)30)14-36-17-35(16-32-36)18-43-25(40)27(2,3)4/h5-10,13,15-17,19,42H,11-12,14,18H2,1-4H3/q+1/t19-,28-/m1/s1
InChI key： NZCJNCYXCSVUBZ-WHLCRQNOSA-N
SMILES： C[C@@H](N1CCN(C1=O)c1ccc(cc1)n1cnnn1)[C@](O)(Cn1c[n+](COC(=O)C(C)(C)C)cn1)c1ccc(F)cc1F
Systematic name  (3)：
  • 1-[(2R,3R)-2-ヒドロキシ-2-(2,4-ジフルオロフェニル)-3-[2-オキソ-3-[4-(1H-テトラゾール-1-イル)フェニル]-1-イミダゾリジニル]ブチル]-4-(ピバロイルオキシメチル)-1H-1,2,4-トリアゾール-4-イウム
  • 1-[(2R,3R)-2-(2,4-ジフルオロフェニル)-2-ヒドロキシ-3-{2-オキソ-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-1-イル}ブチル]-4-{[(2,2-ジメチルプロパノイル)オキシ]メチル}-1H-1,2,4-トリアゾール-4-イウム
  • 1-[(2R,3R)-2-(2,4-difluorophenyl)-2-hydroxy-3-{2-oxo-3-[4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]imidazolidin-1-yl}butyl]-4-{[(2,2-dimethylpropanoyl)oxy]methyl}-1H-1,2,4-triazol-4-ium
Other name (1)：
  • 1-[(2R,3R)-2-Hydroxy-2-(2,4-difluorophenyl)-3-[2-oxo-3-[4-(1H-tetrazole-1-yl)phenyl]-1-imidazolidinyl]butyl]-4-(pivaloyloxymethyl)-1H-1,2,4-triazole-4-ium
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