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Substance
ID:1825760
Structure
Similarity
Functional Group
Text
ID:377
entacapone
Chemical Entities of Biological Interest
ID: CHEBI:4798
Names and Identifiers
IUPAC Traditional name
entacapone
IUPAC name
(2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide
Brand Name
Comtan
Synonyms
entacapone
(E)-alpha-Cyano-N,N-diethyl-3,4-dihydroxy-5-nitrocinnamamide
Comtess
Entacapone
N,N-diethyl-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl) acrylamide
International Nonproprietary Name (INN)
entacapona
entacapone
entacaponum
Registration numbers
PubChem CID
5281081
CAS Number
130929-57-6
DrugBank ID
DB00494
KEGG ID
C07943
PubMed Citation Links
11244274
15875340
15698633
15878587
12952501
11586115
15992091
19879254
19578428
11732751
Reaxys Registry
8158723
ACToR Database
130929-57-6
116314-67-1
BKMS React Database
17740
BRENDA Database
2.1.1.6
2.7.11.18
2.4.1.17
BRENDA Ligand Database
17740
CHEMBL
CHEMBL953
CompTox Database
DTXSID5046439
MetaboLights Database
MTBLS2633
Protein Data Bank
6ak4
SABIO-RK Database
10935
SureChEMBL Database
SCHEMBL34504
Wikipedia Title
Entacapone
Patent number
EP1541197
EP1970055
US2005054658
US2006020028
US2007203080
US2007225379
US2008076825
US2008255073
WO2005019221
WO2005019222
WO2005121069
WO2006017409
WO2006019673
WO2006091697
WO2007104907
WO2007109851
WO2007112581
WO2007113371
WO2007135406
Drug Central Database
1,018
BindingDB Database
50108879
KEGG DRUG Database
D00781
CHEBI ID
CHEBI:4798
PubChem SID
49658624
Properties
No Data Available
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Molecule Details
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.
Molecular Spectra
No Data Available
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References
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