Ibutilide fumarateProduct ingredient for Ibutilide
- Name
- Ibutilide fumarate
- Drug Entry
- Ibutilide
Ibutilide is a Class III antiarrhythmic agent available in intravenous formulations. It is indicated for the conversion of acute atrial flutter and recent onset atrial fibrillation to normal sinus rhythm (NSR).
- Accession Number
- DBSALT001069
- Structure
- Synonyms
- Not Available
- UNII
- 9L5X4M5L6I
- CAS Number
- 122647-32-9
- Weight
- Average: 885.23
Monoisotopic: 884.500287011 - Chemical Formula
- C44H76N4O10S2
- InChI Key
- PCIOHQNIRPWFMV-WXXKFALUSA-N
- InChI
- InChI=1S/2C20H36N2O3S.C4H4O4/c2*1-4-6-7-8-9-16-22(5-2)17-10-11-20(23)18-12-14-19(15-13-18)21-26(3,24)25;5-3(6)1-2-4(7)8/h2*12-15,20-21,23H,4-11,16-17H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+
- IUPAC Name
- (2E)-but-2-enedioic acid; bis(N-(4-{4-[ethyl(heptyl)amino]-1-hydroxybutyl}phenyl)methanesulfonamide)
- SMILES
- [H]\C(=C(\[H])C(O)=O)C(O)=O.CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1.CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1
- External Links
- ChemSpider
- 4444522
- ChEBI
- 5857
- ChEMBL
- CHEMBL2355456
- Wikipedia
- Ibutilide
- Predicted Properties
Property Value Source Water Solubility 0.00473 mg/mL ALOGPS logP 4.72 ALOGPS logP 2.54 Chemaxon logS -4.9 ALOGPS pKa (Strongest Acidic) 9.72 Chemaxon pKa (Strongest Basic) 10.4 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 69.64 Å2 Chemaxon Rotatable Bond Count 28 Chemaxon Refractivity 109.18 m3·mol-1 Chemaxon Polarizability 46.39 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon