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Chemical structure of Amiodarone HCl

GC11432

Amiodarone HCl

Also known as 2-[4-(2-butyl-1-benzofuran-3-carbonyl)-2,6-diiodophenoxy]ethyl-diethylazanium chloride

Amiodarone HCl, a benzofuran-based Class III antiarrhythmic agent, inhibits WT outwardIhERG tails with an IC50 of ~45 nM

ChemicalCAS19774-82-4MW681.77FormulaC25H30ClI2NO3
CAS number
19774-82-4
Molecular weight
681.77
Formula
C25H30ClI2NO3
Solubility
≥ 13·8mg/mL in DMSO with gentle warming
InChIKey
ITPDYQOUSLNIHG-UHFFFAOYSA-N
Catalogue number
GC11432
Brand
GLPBIO
Computed properties PubChem CID 29770 · TPSA 43.9 Ų · H-bond donors 1 · H-bond acceptors 4
TPSA
43.9 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
11
Heavy atoms
32

SMILES CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCC[NH+](CC)CC)I.[Cl-]

Computed descriptors from PubChem (CID 29770), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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