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CHEBI:63619 - propafenone

ChEBI IDCHEBI:63619
ChEBI Namepropafenone
Stars
DefinitionAn aromatic ketone that is 3-(propylamino)propane-1,2-diol in which the hydrogen of the primary hydroxy group is replaced by a 2-(3-phenylpropanoyl)phenyl group. It is a class 1C antiarrhythmic drug with local anesthetic effects, and is used as the hydrochloride salt in the management of supraventricular and ventricular arrhythmias.
Secondary ChEBI IDCHEBI:8465
Last Modified22 February 2017
DownloadsMolfile
FormulaC21H27NO3
Net Charge0
Average Mass341.451
Monoisotopic Mass341.19909
SMILESCCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
InChIInChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3
InChIKeyJWHAUXFOSRPERK-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
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)
propafenone (CHEBI:63619) has role anti-arrhythmia drug (CHEBI:38070)
propafenone (CHEBI:63619) is a aromatic ketone (CHEBI:76224)
propafenone (CHEBI:63619) is a secondary alcohol (CHEBI:35681)
propafenone (CHEBI:63619) is a secondary amino compound (CHEBI:50995)
propafenone (CHEBI:63619) is conjugate base of propafenone(1+) (CHEBI:63650)
Incoming Relation(s)
propafenone(1+) (CHEBI:63650) is conjugate acid of propafenone (CHEBI:63619)
IUPAC Name 
1-{2-[2-hydroxy-3-(propylamino)propoxy]phenyl}-3-phenylpropan-1-one
INNs  Source
propafenonaChemIDplus
propafenoneChemIDplus
propafenonumChemIDplus
Synonyms  Source
1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-phenyl-1-propanoneChemIDplus
2-(2'-hydroxy-3'-propylaminopropoxy)-ω-phenylpropiophenoneChEBI
Manual XrefsDatabases
C07381KEGG COMPOUND
D08435KEGG DRUG
DB01182DrugBank
DE2001431Patent
PropafenoneWikipedia
LSM-1416LINCS
2291DrugCentral
Registry NumbersSources
Reaxys:2175182Reaxys
CAS:54063-53-5KEGG COMPOUND
CAS:54063-53-5ChemIDplus
Citations