Chem
J-GLOBAL ID:200907038005996160
Nikkaji number:J1.558.926D
1-[(2R,3R)-2-Hydroxy-2-(2,4-difluorophenyl)-3-[2-oxo-3-[4-(1H-tetrazole-1-yl)phenyl]-1-imidazolidinyl]butyl]-4-methyl-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-メチル-1H-1,2,4-トリアゾール-4-イウム
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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:
C23 H24 F2 N8 [N+]O2
Molecular formula furigana:
C23-H24-F2-N9-O2
Molecular weight:
496.502
InChI:
InChI=1S/C23H24F2N9O2/c1-16(23(36,12-31-15-30(2)14-27-31)20-8-3-17(24)11-21(20)25)32-9-10-33(22(32)35)18-4-6-19(7-5-18)34-13-26-28-29-34/h3-8,11,13-16,36H,9-10,12H2,1-2H3/q+1/t16-,23-/m1/s1
InChI key:
OLEZENPGVAOJKU-WAIKUNEKSA-N
SMILES:
C[C@@H](N1CCN(C1=O)c1ccc(cc1)n1cnnn1)[C@](O)(Cn1c[n+](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-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-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-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-methyl-1H-1,2,4-triazole-4-ium
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