Ibutilide

Base Information

• Chemical Name: Ibutilide
• CAS No.: 122647-31-8
• Deprecated CAS: 100632-81-3
• Molecular Formula: C20H36 N2 O3 S
• Molecular Weight: 384.5764
• UNII: 2436VX1U9B
• DSSTox Substance ID: DTXSID20861271
• Nikkaji Number: J362.100F
• Wikipedia: Ibutilide
• Wikidata: Q3791612
• NCI Thesaurus Code: C72581
• RXCUI: 41289
• Pharos Ligand ID: 41AW4ZKBRT4D
• Metabolomics Workbench ID: 42695
• ChEMBL ID: CHEMBL533
• Mol file: 122647-31-8.mol

Synonyms:Corvert;ibutilide;ibutilide fumarate;ibutilide, (+)-isomer;ibutilide, (+-)-isomer;ibutilide, (-)-isomer;ibutilide, fumarate salt (2:1), (+)-isomer;ibutilide, fumarate salt (2:1), (+-)-isomer;N-(4-(4-(ethylheptylamino)-1-hydroxybutyl)phenyl)methanesulfonamide;U-70226E;U-82208E;U-82209E;U82208E;U82209E

Chemical Property of Ibutilide

Chemical Property:

• Vapor Pressure: 9.71E-12mmHg at 25°C
• Boiling Point: 522.4°Cat760mmHg
• Flash Point: 269.7°C
• PSA: 78.02000
• Density: 1.099g/cm³
• LogP: 5.31780
• XLogP3: 4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 14
• Exact Mass: 384.24466419
• Heavy Atom Count: 26
• Complexity: 443

Purity/Quality:

99%min ^*data from raw suppliers

Ibutilide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCN(CC)CCCC(C1=CC=C(C=C1)NS(=O)(=O)C)O
• Recent ClinicalTrials: Reducing the Risk of Drug-Induced QT Interval Lengthening in Women
• Recent EU Clinical Trials: Vernakalant Versus Ibutilide In Recent-Onset Atrial Fibrillation
• Uses: Cardiac depressant (anti-arrhythmic).
• Therapeutic Function: Antiarrhythmic
• Clinical Use: Ibutilide (Corvert) is another methanesulfonanilide derivative , but unlike sotalol, it lacks any β-adrenergic blocking activity. Like sotalol, it exhibits electrophysiologic effects characteristic of Class III. Ibutilide is used only by intravenous infusion as its fumarate salt.