Chem
J-GLOBAL ID：200907088359807249   Nikkaji number：J1.558.929I

1-[(2R,3R)-2-Hydroxy-2-(2,4-difluorophenyl)-3-[2-oxo-3-[4-(1H-tetrazole-1-yl)phenyl]-1-imidazolidinyl]butyl]-4-(2-(acetylamino)ethoxycarbonyloxymethyl)-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-(2-(アセチルアミノ)エト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： C28H31F2N9[N+]O6
Molecular formula furigana： C28-H31-F2-N10-O6
Molecular weight： 641.616
InChI： InChI=1S/C28H30F2N10O6/c1-19(38-10-11-39(26(38)42)22-4-6-23(7-5-22)40-15-32-34-35-40)28(44,24-8-3-21(29)13-25(24)30)14-37-17-36(16-33-37)18-46-27(43)45-12-9-31-20(2)41/h3-8,13,15-17,19,44H,9-12,14,18H2,1-2H3/p+1/t19-,28-/m1/s1
InChI key： QAFNZNRNMXVGCU-WHLCRQNOSA-O
SMILES： C[C@@H](N1CCN(C1=O)c1ccc(cc1)n1cnnn1)[C@](O)(Cn1c[n+](COC(=O)OCCNC(=O)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-(2-(アセチルアミノ)エト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-({[(2-アセトアミドエトキシ)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-({[(2-acetamidoethoxy)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-(2-(acetylamino)ethoxycarbonyloxymethyl)-1H-1,2,4-triazole-4-ium
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