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CHEBI:2663 - amiodarone

ChEBI IDCHEBI:2663
ChEBI Nameamiodarone
Stars
DefinitionA member of the class of 1-benzofurans that is 1-benzofuran substituted by a butyl group at position 2 and a 4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl group at position 3. It is a cardiovascular drug used for the treatment of cardiac dysrhythmias.
Last Modified22 February 2017
DownloadsMolfile
FormulaC25H29I2NO3
Net Charge0
Average Mass645.319
Monoisotopic Mass645.02369
SMILESCCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1
InChIInChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3
InChIKeyIYIKLHRQXLHMJQ-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
cardiovascular drug  A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
ChEBI Ontology
Outgoing Relation(s)
amiodarone (CHEBI:2663) has role cardiovascular drug (CHEBI:35554)
amiodarone (CHEBI:2663) is a 1-benzofurans (CHEBI:38830)
amiodarone (CHEBI:2663) is a aromatic ketone (CHEBI:76224)
amiodarone (CHEBI:2663) is a organoiodine compound (CHEBI:37142)
amiodarone (CHEBI:2663) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
(2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone
INNs  Source
amiodaronaChemIDplus
amiodaronumChemIDplus
Synonyms  Source
AmiodaroneKEGG COMPOUND
2-Butyl-3-(3,5-diiodo-4-(2-diethylaminoethoxy)benzoyl)benzofuranChemIDplus
2-Butyl-3-benzofuranyl 4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl ketoneChemIDplus
2-n-Butyl-3',5'-diiodo-4'-N-diethylaminoethoxy-3-benzoylbenzofuranChemIDplus
Manual XrefsDatabases
C06823KEGG COMPOUND
AmiodaroneWikipedia
DB01118DrugBank
D02910KEGG DRUG
HMDB0015250HMDB
TW201400111Patent
CA2826272Patent
LSM-2379LINCS
176DrugCentral
Registry NumbersSources
Beilstein:1271711Beilstein
CAS:1951-25-3KEGG COMPOUND
CAS:1951-25-3ChemIDplus
Citations