Chem
J-GLOBAL ID：200907055850400490   Nikkaji number：J248.119G

Y-20811

Y-20811
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： C20H19N2NaO3
Molecular formula furigana： C20-H19-N2-NA-O3
Molecular weight： 358.373
InChI： InChI=1S/C20H20N2O3.Na/c1-12-4-5-16(22-7-6-21-11-22)10-17(12)19(23)18-13(2)8-15(20(24)25)9-14(18)3;/h4-11,19,23H,1-3H3,(H,24,25);/q;+1/p-1
InChI key： HRUWEADDSLYBSH-UHFFFAOYSA-M
SMILES： Cc1ccc(cc1C(O)c1c(C)cc(cc1C)C(=O)O[Na])n1ccnc1
Systematic name  (3)：
  • 4-[ヒドロキシ[5-(1H-イミダゾール-1-イル)-2-メチルフェニル]メチル]-3,5-ジメチル安息香酸ナトリウム
  • ナトリウム 4-{ヒドロキシ[5-(1H-イミダゾール-1-イル)-2-メチルフェニル]メチル}-3,5-ジメチルベンゾアート
  • sodium 4-{hydroxy[5-(1H-imidazol-1-yl)-2-methylphenyl]methyl}-3,5-dimethylbenzoate
Other name (2)：
  • Y-20811
  • 4-[Hydroxy[5-(1H-imidazol-1-yl)-2-methylphenyl]methyl]-3,5-dimethylbenzoic acid sodium salt
CAS registry number： 104363-98-6
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