Chem
J-GLOBAL ID：200907026503148209   Nikkaji number：J413.864C

Analgin

アナルギン
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： C13H16N3NaO4S
Molecular formula furigana： C13-H16-N3-NA-O4-S
Molecular weight： 333.340
InChI： InChI=1S/C13H17N3O4S.Na/c1-10-12(8-14-9-21(18,19)20)13(17)16(15(10)2)11-6-4-3-5-7-11;/h3-7,14H,8-9H2,1-2H3,(H,18,19,20);/q;+1/p-1
InChI key： ZPJLEKFUFNLIKA-UHFFFAOYSA-M
SMILES： Cc1c(CNCS(=O)(=O)O[Na])c(=O)n(c2ccccc2)n1C
Systematic name  (3)：
  • [[(2,3-ジヒドロ-1,5-ジメチル-3-オキソ-2-フェニル-1H-ピラゾール)-4-イル]メチルアミノ]メタンスルホン酸ナトリウム
  • ナトリウム {[(1,5-ジメチル-3-オキソ-2-フェニル-2,3-ジヒドロ-1H-ピラゾール-4-イル)メチル]アミノ}メタンスルホナート
  • sodium {[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]amino}methanesulfonate
Other name (3)：
  • アナルギン
  • Analgin
  • [[(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol)-4-yl]methylamino]methanesulfonic acid sodium salt
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