Discuss This Drug

entacapone

CHEBI:CHEBI_4798

Definition

A monocarboxylic acid amide that is N,N-diethylprop-2-enamide in which the hydrogen at position 2 is substituted by a cyano group and the hydrogen at the 3E position is substituted by a 3,4-dihydroxy-5-nitrophenyl group.

Chemical Information

Molecular Formula
C14H15N3O5
Molecular Mass
305.28612
Charge
0
SMILES
CCN(CC)C(=O)C(\C#N)=C\c1cc(O)c(O)c(c1)[N+]([O-])=O
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+
InChIKey
JRURYQJSLYLRLN-BJMVGYQFSA-N

Alternative Names

  • (2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide
  • (E)-alpha-Cyano-N,N-diethyl-3,4-dihydroxy-5-nitrocinnamamide
  • Comtan
  • Comtess
  • entacapona
  • entacapone
  • Entacapone
  • entacaponum
  • N,N-diethyl-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl) acrylamide

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

DRON_00010000
60307
oboInOwl#hasDbXref
Wikipedia:Entacapone
core#notation
CHEBI:4798

Additional References

Wikipedia:Entacapone

🔍 Click on any linked disease name to learn more about the conditions this medication is used to treat, or explore related drug classifications for more information about similar medications.

Additional Attributes

oboInOwl#hasOBONamespace
chebi_ontology
DRON_00010000
60307
oboInOwl#hasDbXref
Wikipedia:Entacapone
oboInOwl#id
CHEBI:4798
core#notation
CHEBI:4798
RO_0000087
http://purl.obolibrary.org/obo/CHEBI_48406
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class
rdf-schema#domain
https://w3id.org/def/predibionto#has_side_effect25671
has_treatment
http://purl.obolibrary.org/obo/DOID_0060963
owl#annotatedSource
t228379
owl#someValuesFrom
t996658