Molecular Identity
Amiodarone
(2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]methanone
PubChem CID: 2157
Amiodarone is 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. It has a role as a cardiovascular drug. It is an organoiodine compound, a member of 1-benzofurans, a tertiary amino compound and an aromatic ketone.
2D Structure
Properties
C25H29I2NO3
Molecular Formula
645.30
Molecular Weight
g/mol
645.0237
Exact Mass
Da
7.6
XLogP
Above Lipinski threshold
42.7
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
4
H-Bond Acceptors
547
Complexity
SMILES
Canonical SMILES
SMILES: CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)IIsomeric SMILES
SMILES: CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)ISynonyms(20)
amiodarone1951-25-3AmiodaronaAmiodaronum2-Butyl-3-(3,5-diiodo-4-(2-diethylaminoethoxy)benzoyl)benzofuran2-n-Butyl-3',5'-diiodo-4'-N-diethylaminoethoxy-3-benzoylbenzofuranDTXSID7022592N3RQ532IUT2-Butyl-3-benzofuranyl 4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl ketoneAtlansil(2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanoneMethanone, (2-butyl-3-benzofuranyl)(4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl)-CHEBI:2663DTXCID702592Methanone, (2-butyl-3-benzofuranyl)[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Amiodarone
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