Chem
J-GLOBAL ID：201707011202867698   Nikkaji number：J3.609.254H

BIA-10-2474

3-[1-[[シクロヘキシル(メチル)アミノ]カルボニル]-1H-イミダゾール-4-イル]ピリジニウム1-オキシド
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： C16H20N3[N+2]O[O-]
Molecular formula furigana： C16-H20-N4-O2
Molecular weight： 300.361
InChI： InChI=1S/C16H20N4O2/c1-18(14-7-3-2-4-8-14)16(21)19-11-15(17-12-19)13-6-5-9-20(22)10-13/h5-6,9-12,14H,2-4,7-8H2,1H3/q+1
InChI key： YWSWOQAZNLXNGI-UHFFFAOYSA-N
SMILES： CN(C1CCCCC1)C(=O)n1cnc(c1)c1ccc[n+2]([O-])c1
Systematic name  (3)：
  • 3-[1-[[シクロヘキシル(メチル)アミノ]カルボニル]-1H-イミダゾール-4-イル]ピリジニウム1-オキシド
  • 3-{1-[シクロヘキシル(メチル)カルバモイル]-1H-イミダゾール-4-イル}-1λ2-ピリジン-1,1-ジイウム-1-オラート
  • 3-{1-[cyclohexyl(methyl)carbamoyl]-1H-imidazol-4-yl}-1λ2-pyridine-1,1-diium-1-olate
Other name (2)：
  • 3-[1-[[Cyclohexyl(methyl)amino]carbonyl]-1H-imidazole-4-yl]pyridinium 1-oxide
  • BIA-10-2474
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