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CHEBI:68584 - ezogabine

ChEBI IDCHEBI:68584
ChEBI Nameezogabine
Stars
DefinitionA substituted aniline that is benzene-1,2,4-triamine bearing ethoxycarbonyl and 4-fluorobenzyl substituents at positions N-1 and N-4 respectively. An anticonvulsant used to treat seizures associated with epilepsy in adults.
Last Modified22 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC16H18FN3O2
Net Charge0
Average Mass303.337
Monoisotopic Mass303.13831
SMILESCCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N
InChIInChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21)
InChIKeyPCOBBVZJEWWZFR-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
Application:
anticonvulsant  A drug used to prevent seizures or reduce their severity.
ChEBI Ontology
Outgoing Relation(s)
ezogabine (CHEBI:68584) has functional parent benzene-1,2,4-triamine (CHEBI:29148)
ezogabine (CHEBI:68584) has role anticonvulsant (CHEBI:35623)
ezogabine (CHEBI:68584) has role potassium channel modulator (CHEBI:50510)
ezogabine (CHEBI:68584) is a carbamate ester (CHEBI:23003)
ezogabine (CHEBI:68584) is a organofluorine compound (CHEBI:37143)
ezogabine (CHEBI:68584) is a secondary amino compound (CHEBI:50995)
ezogabine (CHEBI:68584) is a substituted aniline (CHEBI:48975)
INN  Source
retigabineKEGG DRUG
Synonyms  Source
N-(2-Amino-4-(4-fluorobenzylamino)-phenyl) carbamic acid ethyl esterKEGG COMPOUND
Ethyl 2-amino-4-((p-fluorobenzyl)amino)carbanilateChemIDplus
N-(2-Amino-4-(4-fluorobenzylamino)phenyl)carbamic acid ethyl esterChemIDplus
D-23129ChemIDplus
ethyl {2-amino-4-[(4-fluorobenzyl)amino]phenyl}carbamateChEBI
D-23129KEGG COMPOUND
Brand Name  Source
PotigaKEGG DRUG
Manual XrefsDatabases
D09569KEGG DRUG
C13826KEGG COMPOUND
WO2011012659Patent
US5384330Patent
US2002015730Patent
US2012053238Patent
WO2007090409Patent
US2002111379Patent
US6348486Patent
US2002183395Patent
EzogabineWikipedia
4181DrugCentral
Registry NumbersSources
Reaxys:8072099Reaxys
CAS:150812-12-7KEGG COMPOUND
CAS:150812-12-7ChemIDplus
Citations