Celivarone
propan-2-yl 2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]-1-benzofuran-5-carboxylate
Molecular Identity
Celivarone
propan-2-yl 2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]-1-benzofuran-5-carboxylate
PubChem CID: 9807128
2D Structure
Properties
C34H47NO4
Molecular Formula
533.70
Molecular Weight
g/mol
533.3505
Exact Mass
Da
9.2
XLogP
Above Lipinski threshold
59.8
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
5
H-Bond Acceptors
708
Complexity
SMILES
Canonical SMILES
SMILES: CCCCC1=C(C2=C(O1)C=CC(=C2)C(=O)OC(C)C)C(=O)C3=CC=C(C=C3)CCCN(CCCC)CCCCIsomeric SMILES
SMILES: CCCCC1=C(C2=C(O1)C=CC(=C2)C(=O)OC(C)C)C(=O)C3=CC=C(C=C3)CCCN(CCCC)CCCCSynonyms(20)
Celivarone401925-43-7celivaronaK45001587Epropan-2-yl 2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]-1-benzofuran-5-carboxylateDTXSID50960620ISOPROPYL 2-BUTYL-3-(4-(3-(DIBUTYLAMINO)PROPYL)BENZOYL)-1-BENZOFURAN-5-CARBOXYLATEPropan-2-yl 2-butyl-3-{4-[3-(dibutylamino)propyl]benzoyl}-1-benzofuran-5-carboxylatecelivaronumpropan-2-yl 2-butyl-3-(4-(3-(dibutylamino)propyl)benzoyl)-1-benzofuran-5-carboxylateRefChem:124295ATI2042DTXCID5013884682-Benzofuranacetic acid, 3-(4-(2-(diethylamino)ethoxy)-3,5-diiodobenzoyl)-, 1-methylpropyl esterCelivarone [INN]
Data from PubChem (NCBI)
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Drug Network
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