Darglitazone sodiumProduct ingredient for Darglitazone
- Name
- Darglitazone sodium
- Drug Entry
- Darglitazone
- Accession Number
- DBSALT002701
- Structure
Structure for Darglitazone sodium (DBSALT002701)
- Synonyms
- Not Available
- External IDs
- CP 86325-2 / CP-86,325-2 / CP-86325-2
- UNII
- A1P35HS4XI
- CAS Number
- 141683-98-9
- Weight
- Average: 442.46
Monoisotopic: 442.09632255 - Chemical Formula
- C23H19N2NaO4S
- InChI Key
- AMCPCELVARAPHJ-UHFFFAOYSA-M
- InChI
- InChI=1S/C23H20N2O4S.Na/c1-14-18(24-22(29-14)17-5-3-2-4-6-17)11-12-19(26)16-9-7-15(8-10-16)13-20-21(27)25-23(28)30-20;/h2-10,20H,11-13H2,1H3,(H,25,27,28);/q;+1/p-1
- IUPAC Name
- sodium 5-({4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl}methyl)-2,4-dioxo-1,3-thiazolidin-3-ide
- SMILES
- [Na+].CC1=C(CCC(=O)C2=CC=C(CC3SC(=O)[N-]C3=O)C=C2)N=C(O1)C1=CC=CC=C1
- External Links
- ChemSpider
- 54853
- ChEMBL
- CHEMBL2106162
- Predicted Properties
Property Value Source Water Solubility 0.0294 mg/mL ALOGPS logP 3.62 ALOGPS logP 3.82 Chemaxon logS -4.2 ALOGPS pKa (Strongest Acidic) 6.61 Chemaxon pKa (Strongest Basic) 0.85 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 86.47 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 124.12 m3·mol-1 Chemaxon Polarizability 44.97 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon