Chem
J-GLOBAL ID：200907002215730959   Nikkaji number：J1.558.928K

1-[(2R,3R)-2-Hydroxy-2-(2,4-difluorophenyl)-3-[2-oxo-3-[4-(1H-tetrazole-1-yl)phenyl]-1-imidazolidinyl]butyl]-4-(3-hydroxypropoxycarbonyloxymethyl)-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-(3-ヒドロキシプロポ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： C27H30F2N8[N+]O6
Molecular formula furigana： C27-H30-F2-N9-O6
Molecular weight： 614.590
InChI： InChI=1S/C27H30F2N9O6/c1-19(36-9-10-37(25(36)40)21-4-6-22(7-5-21)38-15-30-32-33-38)27(42,23-8-3-20(28)13-24(23)29)14-35-17-34(16-31-35)18-44-26(41)43-12-2-11-39/h3-8,13,15-17,19,39,42H,2,9-12,14,18H2,1H3/q+1/t19-,27-/m1/s1
InChI key： JWLNECAMLYPYKT-XHCCPWGMSA-N
SMILES： C[C@@H](N1CCN(C1=O)c1ccc(cc1)n1cnnn1)[C@](O)(Cn1c[n+](COC(=O)OCCCO)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-(3-ヒドロキシプロポ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-({[(3-ヒドロキシプロポキシ)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-({[(3-hydroxypropoxy)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-(3-hydroxypropoxycarbonyloxymethyl)-1H-1,2,4-triazole-4-ium
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM