Setogepram sodiumProduct ingredient for Setogepram
- Name
- Setogepram sodium
- Drug Entry
- Setogepram
Setogepram is under investigation in clinical trial NCT03184584 (Open-Label Rollover Study of PBI 4050 in Subjects With Alström Syndrome).
- Accession Number
- DBSALT003364
- Structure
Structure for Setogepram sodium (DBSALT003364)
- Synonyms
- 3-pentylbenzenacetic acid sodium salt / 3-Pentylbenzeneacetic acid sodium salt / Fezagepras sodium / PBI-4050 sodium / sodium 2-(3-pentylphenyl)acetate
- UNII
- R05571KE07
- CAS Number
- 1254472-97-3
- Weight
- Average: 228.267
Monoisotopic: 228.11262407 - Chemical Formula
- C13H17NaO2
- InChI Key
- CNSJWSLXKSJQFE-UHFFFAOYSA-M
- InChI
- InChI=1S/C13H18O2.Na/c1-2-3-4-6-11-7-5-8-12(9-11)10-13(14)15;/h5,7-9H,2-4,6,10H2,1H3,(H,14,15);/q;+1/p-1
- IUPAC Name
- sodium 2-(3-pentylphenyl)acetate
- SMILES
- CCCCCC1=CC=CC(CC(=O)O[Na])=C1
- External Links
- ChemSpider
- 58828533
- ChEMBL
- CHEMBL4799780
- Predicted Properties
Property Value Source logP 4.04 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 26.3 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 59.88 m3·mol-1 Chemaxon Polarizability 25.56 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon