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Substance Name: Entacapone [USAN:USP:INN:BAN]
RN: 130929-57-6
UNII: 4975G9NM6T
InChIKey: JRURYQJSLYLRLN-BJMVGYQFSA-N

Classification Codes

  • Anti-Dyskinesia Agents
  • Antidyskinetic
  • Antiparkinson Agents
  • Catechol O-Methyltransferase Inhibitors
  • Central Nervous System Agents
  • Enzyme Inhibitors

Molecular Formula

  • C14-H15-N3-O5

Molecular Weight

  • 305.2885
 

Names and Synonyms

Name of Substance

  • Entacapone
  • Entacapone [USAN:USP:INN:BAN]

Synonyms

  • (E)-2-cyano-3-(3,4-dihydroxy-5-nitro-phenyl)-N,N-diethyl-prop-2-enamide
  • (E)-Entacapone
  • 2-Cyano-N,N-diethyl-3-(3,4-dihydroxy-5-nitrophenyl)propenamide
  • Comtan
  • Comtess
  • Entacapona
  • Entacapona [INN-Spanish]
  • Entacapone
  • Entacaponum
  • Entacaponum [INN-Latin]
  • Entacom
  • HSDB 8251
  • OR 611
  • OR-611
  • UNII-4975G9NM6T

Systematic Names

  • (E)-alpha-Cyano-N,N-diethyl-3,4-dihydroxy-5-nitrocinnamamide
  • 2-Propenamide, 2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-, (2E)-

Registry Numbers

CAS Registry Number

  • 130929-57-6

FDA UNII

  • 4975G9NM6T

Other Registry Number

  • 116314-67-1

System Generated Number

  • 0130929576

Structure Descriptors

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+

InChIKey

JRURYQJSLYLRLN-BJMVGYQFSA-N

Smiles

CCN(CC)C(=O)\C(=C\c1cc(O)c(O)c(c1)[N+](=O)[O-])\C#N