Amiodarone metabolite M5

Base Information

• Chemical Name: Amiodarone metabolite M5
• CAS No.: 135048-44-1
• Molecular Formula: C21H20I2O4
• UNII: AGV45U82VT
• ChEMBL ID: CHEMBL3527418
• Nikkaji Number: J412.250J
• Mol file: 135048-44-1.mol

Synonyms:Amiodarone metabolite M5;AGV45U82VT;135048-44-1;UNII-AGV45U82VT;(2-Butyl-3-benzofuranyl)(4-(2-hydroxyethoxy)-3,5-diiodophenyl)methanone;Methanone, (2-butyl-3-benzofuranyl)(4-(2-hydroxyethoxy)-3,5-diiodophenyl)-;(2-Butyl-3-benzofuranyl)[4-(2-hydroxyethoxy)-3,5-diiodophenyl]methanone;Deaminated amiodarone;CHEMBL3527418;SCHEMBL19895690

Chemical Property of Amiodarone metabolite M5

Chemical Property:

• XLogP3: 6.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 589.94510
• Heavy Atom Count: 27
• Complexity: 477

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCO)I

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