Celivarone fumarateProduct ingredient for Celivarone
- Name
- Celivarone fumarate
- Drug Entry
- Celivarone
Celivarone is under investigation in clinical trial NCT00233441 (Placebo Controlled Double-blind Dose Ranging Study of the Efficacy and Safety of SSR149744C 50, 100, 200 or 300 Mg OD With Amiodarone as Calibrator for the Maintenance of Sinus Rhythm in Patients With Recent Atrial Fibrillation/flutter).
- Accession Number
- DBSALT003131
- Structure
Structure for Celivarone fumarate (DBSALT003131)
- Synonyms
- Not Available
- External IDs
- SSR 149744C / SSR149744C
- UNII
- GA9K2RD7NJ
- CAS Number
- 752253-75-1
- Weight
- Average: 649.825
Monoisotopic: 649.361467606 - Chemical Formula
- C38H51NO8
- InChI Key
- OJGUHVXJDZPQSK-WLHGVMLRSA-N
- InChI
- InChI=1S/C34H47NO4.C4H4O4/c1-6-9-14-31-32(29-24-28(19-20-30(29)39-31)34(37)38-25(4)5)33(36)27-17-15-26(16-18-27)13-12-23-35(21-10-7-2)22-11-8-3;5-3(6)1-2-4(7)8/h15-20,24-25H,6-14,21-23H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
- IUPAC Name
- (2E)-but-2-enedioic acid; propan-2-yl 2-butyl-3-{4-[3-(dibutylamino)propyl]benzoyl}-1-benzofuran-5-carboxylate
- SMILES
- OC(=O)\C=C\C(O)=O.CCCCN(CCCC)CCCC1=CC=C(C=C1)C(=O)C1=C(CCCC)OC2=CC=C(C=C12)C(=O)OC(C)C
- External Links
- ChemSpider
- 8028236
- Predicted Properties
Property Value Source Water Solubility 0.00165 mg/mL ALOGPS logP 7.74 ALOGPS logP 9.3 Chemaxon logS -5.5 ALOGPS pKa (Strongest Basic) 10.54 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 59.75 Å2 Chemaxon Rotatable Bond Count 20 Chemaxon Refractivity 161.19 m3·mol-1 Chemaxon Polarizability 66.01 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon