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CHEBI:4681 - dofetilide

ChEBI IDCHEBI:4681
ChEBI Namedofetilide
Stars
DefinitionA tertiary amino compound that is N-ethyl-N-methylethanamine substituted by a 4-[(methylsulfonyl)amino]phenoxy and a 4-[(methylsulfonyl)amino]phenyl group at the terminal carbon atoms respectively. It is used as an anti-arrhythmia drug.
Last Modified22 February 2017
DownloadsMolfile
FormulaC19H27N3O5S2
Net Charge0
Average Mass441.575
Monoisotopic Mass441.13921
SMILESCN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C19H27N3O5S2/c1-22(13-12-16-4-6-17(7-5-16)20-28(2,23)24)14-15-27-19-10-8-18(9-11-19)21-29(3,25)26/h4-11,20-21H,12-15H2,1-3H3
InChIKeyIXTMWRCNAAVVAI-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
potassium channel blocker  An agent that inhibits cell membrane glycoproteins that are selectively permeable to potassium ions.
Application:
anti-arrhythmia drug  A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres.
ChEBI Ontology
Outgoing Relation(s)
dofetilide (CHEBI:4681) has role anti-arrhythmia drug (CHEBI:38070)
dofetilide (CHEBI:4681) has role potassium channel blocker (CHEBI:50509)
dofetilide (CHEBI:4681) is a aromatic ether (CHEBI:35618)
dofetilide (CHEBI:4681) is a sulfonamide (CHEBI:35358)
dofetilide (CHEBI:4681) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
N-(4-{2-[methyl(2-{4-[(methylsulfonyl)amino]phenoxy}ethyl)amino]ethyl}phenyl)methanesulfonamide
INNs  Source
dofetilideChemIDplus
dofetilidaChemIDplus
dofetilidumChemIDplus
Synonyms  Source
DofetilideKEGG COMPOUND
beta-((p-Methanesulfonamidophenethyl)methylamino)methanesulfono-p-phenetidideChemIDplus
Brand Name  Source
TikosynDrugBank
Manual XrefsDatabases
C07751KEGG COMPOUND
D00647KEGG DRUG
DB00204DrugBank
EP245997Patent
US4959366Patent
DofetilideWikipedia
LSM-5925LINCS
942DrugCentral
Registry NumbersSources
Reaxys:3572833Reaxys
CAS:115256-11-6ChemIDplus
Citations