Chem
J-GLOBAL ID:200907027701540528   Nikkaji number:J506.416C

Entacapone

エンタカポン
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: C14H15N2[N+]O4[O-]
Molecular formula furigana: C14-H15-N3-O5
Molecular weight: 305.290
InChI: InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+
InChI key: JRURYQJSLYLRLN-BJMVGYQFSA-N
SMILES: CCN(CC)C(=O)/C(=C/c1cc(O)c(O)c(c1)[N+](=O)[O-])/C#N
Systematic name  (6):
  • (E)-2-シアノ-N,N-ジエチル-3-(3,4-ジヒドロキシ-5-ニトロフェニル)プロペンアミド
  • α-シアノ-N,N-ジエチル-3-ニトロ-4,5-ジヒドロキシ-trans-シンナムアミド
  • (2E)-2-シアノ-N,N-ジエチル-3-(3,4-ジヒドロキシ-5-ニトロフェニル)プロペンアミド
  • N,N-ジエチル-α-シアノ-3,4-ジヒドロキシ-5-ニトロ-trans-シンナムアミド
  • (2E)-2-シアノ-3-(3,4-ジヒドロキシ-5-ニトロフェニル)-N,N-ジエチルプロパ-2-エンアミド
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Other name (12):
  • エンタカポン
  • Entacapone
  • (E)-OR-611
  • (E)-2-Cyano-N,N-diethyl-3-(3,4-dihydroxy-5-nitrophenyl)propenamide
  • α-Cyano-N,N-diethyl-3-nitro-4,5-dihydroxy-trans-cinnamamide
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CAS registry number: 130929-57-6
Regulation number (1):
  • 4-(7)-2144
KEGG DRUG: D00781
KEGG COMPOUND: C07943
Application (1):
antiparkinson drug
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