Bifeprunox mesylateProduct ingredient for Bifeprunox
- Name
- Bifeprunox mesylate
- Drug Entry
- Bifeprunox
Bifeprunox is a novel atypical antipsychotic agent which, along with SLV313, aripiprazole and SSR-181507 combines minimal D2 receptor agonism with 5-HT receptor agonism.
- Accession Number
- DBSALT002852
- Structure
Structure for Bifeprunox mesylate (DBSALT002852)
- Synonyms
- Bifeprunox mesilate / Bifeprunox mesylate
- UNII
- 8F018D8L02
- CAS Number
- 350992-13-1
- Weight
- Average: 481.57
Monoisotopic: 481.167142155 - Chemical Formula
- C25H27N3O5S
- InChI Key
- ONWKHSGOYGLGPO-UHFFFAOYSA-N
- InChI
- InChI=1S/C24H23N3O2.CH4O3S/c28-24-25-21-10-5-11-22(23(21)29-24)27-14-12-26(13-15-27)17-18-6-4-9-20(16-18)19-7-2-1-3-8-19;1-5(2,3)4/h1-11,16H,12-15,17H2,(H,25,28);1H3,(H,2,3,4)
- IUPAC Name
- 7-[4-({[1,1'-biphenyl]-3-yl}methyl)piperazin-1-yl]-2,3-dihydro-1,3-benzoxazol-2-one; methanesulfonic acid
- SMILES
- CS(O)(=O)=O.O=C1NC2=C(O1)C(=CC=C2)N1CCN(CC2=CC(=CC=C2)C2=CC=CC=C2)CC1
- External Links
- ChemSpider
- 5293784
- ChEMBL
- CHEMBL2107317
- Predicted Properties
Property Value Source Water Solubility 0.0197 mg/mL ALOGPS logP 4.36 ALOGPS logP 4.51 Chemaxon logS -4.3 ALOGPS pKa (Strongest Acidic) 9.47 Chemaxon pKa (Strongest Basic) 7.75 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 44.81 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 116.49 m3·mol-1 Chemaxon Polarizability 43.09 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon