CHEBI:2663 - amiodarone

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ChEBI Name amiodarone
ChEBI ID CHEBI:2663
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB21373008, eMolecules:1934883, ZINC000000056538
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Trifluoperazine, marketed under the brand name Stelazine among others, is a typical antipsychotic primarily used to treat schizophrenia. It may also be used short term in those with generalized anxiety disorder but is less preferred to benzodiazepines. It is of the phenothiazine chemical class. It was approved for medical use in the United States in 1959.
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Formula C25H29I2NO3
Net Charge 0
Average Mass 645.31160
Monoisotopic Mass 645.02368
InChI InChI=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
InChIKey IYIKLHRQXLHMJQ-UHFFFAOYSA-N
SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Application(s): cardiovascular drug
A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
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ChEBI Ontology
Outgoing 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 Sources
amiodarona ChemIDplus
amiodaronum ChemIDplus
Synonyms Sources
2-Butyl-3-(3,5-diiodo-4-(2-diethylaminoethoxy)benzoyl)benzofuran ChemIDplus
2-Butyl-3-benzofuranyl 4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl ketone ChemIDplus
2-n-Butyl-3',5'-diiodo-4'-N-diethylaminoethoxy-3-benzoylbenzofuran ChemIDplus
Amiodarone KEGG COMPOUND
Manual Xrefs Databases
176 DrugCentral
Amiodarone Wikipedia
C06823 KEGG COMPOUND
CA2826272 Patent
D02910 KEGG DRUG
DB01118 DrugBank
HMDB0015250 HMDB
LSM-2379 LINCS
TW201400111 Patent
View more database links
Registry Numbers Types Sources
1271711 Beilstein Registry Number Beilstein
1951-25-3 CAS Registry Number KEGG COMPOUND
1951-25-3 CAS Registry Number ChemIDplus
Citations
Last Modified
22 February 2017