Chem
J-GLOBAL ID：200907066516472074   Nikkaji number：J459.846F

Tolcapone

トルカポン
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： C14H11[N+]O4[O-]
Molecular formula furigana： C14-H11-N-O5
Molecular weight： 273.244
InChI： InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3
InChI key： MIQPIUSUKVNLNT-UHFFFAOYSA-N
SMILES： Cc1ccc(cc1)C(=O)c1cc(O)c(O)c(c1)[N+](=O)[O-]
Systematic name  (4)：
  • (3,4-ジヒドロキシ-5-ニトロフェニル)(4-メチルフェニル)メタノン
  • (3,4-ジヒドロキシ-5-ニトロフェニル)p-トリルメタノン
  • 5-(4-メチルベンゾイル)-3-ニトロベンゼン-1,2-ジオール
  • 5-(4-methylbenzoyl)-3-nitrobenzene-1,2-diol
Other name (4)：
  • Ro-40-7592
  • (3,4-Dihydroxy-5-nitrophenyl)p-tolylmethanone
  • トルカポン
  • Tolcapone
CAS registry number： 134308-13-7
KEGG DRUG： D00786
KEGG COMPOUND： C07949
Application (2)：
antiparkinson drug ,  enzyme inhibitor
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