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CHEBI:50659 - dronedarone

ChEBI IDCHEBI:50659
ChEBI Namedronedarone
Stars
DefinitionA member of the class of 1-benzofurans used for the treatment of cardiac arrhythmias.
Last Modified22 February 2017
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC31H44N2O5S
Net Charge0
Average Mass556.769
Monoisotopic Mass556.29709
SMILESCCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
InChIInChI=1S/C31H44N2O5S/c1-5-8-12-29-30(27-23-25(32-39(4,35)36)15-18-28(27)38-29)31(34)24-13-16-26(17-14-24)37-22-11-21-33(19-9-6-2)20-10-7-3/h13-18,23,32H,5-12,19-22H2,1-4H3
InChIKeyZQTNQVWKHCQYLQ-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Roles:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
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)
dronedarone (CHEBI:50659) has role anti-arrhythmia drug (CHEBI:38070)
dronedarone (CHEBI:50659) has role environmental contaminant (CHEBI:78298)
dronedarone (CHEBI:50659) has role xenobiotic (CHEBI:35703)
dronedarone (CHEBI:50659) is a 1-benzofurans (CHEBI:38830)
dronedarone (CHEBI:50659) is a aromatic ether (CHEBI:35618)
dronedarone (CHEBI:50659) is a aromatic ketone (CHEBI:76224)
dronedarone (CHEBI:50659) is a sulfonamide (CHEBI:35358)
dronedarone (CHEBI:50659) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
N-[2-butyl-3-{4-[3-(dibutylamino)propoxy]benzoyl}-1-benzofuran-5-yl]methanesulfonamide
INN  Source
dronedaroneKEGG DRUG
Synonyms  Source
N-(2-butyl-3-(p-(3-(dibutylamino)propoxy)benzoyl)-5-benzofuranyl)methanesulfonamideChemIDplus
N-(2-butyl-3-(4-(3-(dibutylamino)propoxy)benzoyl)-5-benzofuranyl)-methanesulfonamideChemIDplus
SR 33589ChemIDplus
SR 33589BChemIDplus
Brand Name  Source
MultaqChemIDplus
Manual XrefsDatabases
D02537KEGG DRUG
DronedaroneWikipedia
MX2013006564Patent
EP2684564Patent
4112DrugCentral
Registry NumbersSources
Reaxys:8176529Reaxys
CAS:141626-36-0ChemIDplus
Citations