Chem
J-GLOBAL ID：200907015018052188   Nikkaji number：J1.558.927B

1-[(2R,3R)-2-Hydroxy-2-(2,4-difluorophenyl)-3-[2-oxo-3-[4-(1H-tetrazole-1-yl)phenyl]-1-imidazolidinyl]butyl]-4-(1,3-dioxane-5-yloxycarbonyloxymethyl)-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-(1,3-ジオキサン-5-イルオキシカルボニルオキシメチル)-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： C28H30F2N8[N+]O7
Molecular formula furigana： C28-H30-F2-N9-O7
Molecular weight： 642.600
InChI： InChI=1S/C28H30F2N9O7/c1-19(37-8-9-38(26(37)40)21-3-5-22(6-4-21)39-14-31-33-34-39)28(42,24-7-2-20(29)10-25(24)30)13-36-16-35(15-32-36)17-45-27(41)46-23-11-43-18-44-12-23/h2-7,10,14-16,19,23,42H,8-9,11-13,17-18H2,1H3/q+1/t19-,28-/m1/s1
InChI key： BEOOBZIDZISPSJ-WHLCRQNOSA-N
SMILES： C[C@@H](N1CCN(C1=O)c1ccc(cc1)n1cnnn1)[C@](O)(Cn1c[n+](COC(=O)OC2COCOC2)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-(1,3-ジオキサン-5-イルオキシカルボニルオキシメチル)-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-({[(1,3-ジオキサン-5-イルオキシ)カルボニル]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-({[(1,3-dioxan-5-yloxy)carbonyl]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-(1,3-dioxane-5-yloxycarbonyloxymethyl)-1H-1,2,4-triazole-4-ium
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