Edaglitazone sodiumProduct ingredient for Edaglitazone
- Name
- Edaglitazone sodium
- Drug Entry
- Edaglitazone
- Accession Number
- DBSALT002022
- Structure
Structure for Edaglitazone sodium (DBSALT002022)
- Synonyms
- Edaglitazone sodium
- External IDs
- RO-205-2349/602 / RO-2052349-602 / RO2052349-602
- UNII
- 862MFS0O74
- CAS Number
- 369631-81-2
- Weight
- Average: 486.54
Monoisotopic: 486.06839373 - Chemical Formula
- C24H19N2NaO4S2
- InChI Key
- SIIGOZKPQPCNLP-UHFFFAOYSA-M
- InChI
- InChI=1S/C24H20N2O4S2.Na/c1-14-18(25-23(30-14)15-5-3-2-4-6-15)9-11-29-19-8-7-16(21-17(19)10-12-31-21)13-20-22(27)26-24(28)32-20;/h2-8,10,12,20H,9,11,13H2,1H3,(H,26,27,28);/q;+1/p-1
- IUPAC Name
- sodium 5-({4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}methyl)-2,4-dioxo-1,3-thiazolidin-3-ide
- SMILES
- [Na+].CC1=C(CCOC2=C3C=CSC3=C(CC3SC(=O)[N-]C3=O)C=C2)N=C(O1)C1=CC=CC=C1
- External Links
- ChemSpider
- 8292572
- ChEMBL
- CHEMBL3989761
- Predicted Properties
Property Value Source Water Solubility 0.0107 mg/mL ALOGPS logP 4.87 ALOGPS logP 4.87 Chemaxon logS -4.7 ALOGPS pKa (Strongest Acidic) 6.61 Chemaxon pKa (Strongest Basic) 0.93 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 78.63 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 133.41 m3·mol-1 Chemaxon Polarizability 48.8 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 Yes Chemaxon