Molidustat sodiumProduct ingredient for Molidustat
- Name
- Molidustat sodium
- Drug Entry
- Molidustat
Molidustat is under investigation in clinical trial NCT03350321 (A Study of Molidustat for Correction of Renal Anemia in Non-dialysis Subjects).
- Accession Number
- DBSALT002944
- Structure
Structure for Molidustat sodium (DBSALT002944)
- Synonyms
- Not Available
- UNII
- CI0NE7C96T
- CAS Number
- 1375799-59-9
- Weight
- Average: 336.291
Monoisotopic: 336.10591597 - Chemical Formula
- C13H13N8NaO2
- InChI Key
- UIFNJDDKXYFTJS-UHFFFAOYSA-M
- InChI
- InChI=1S/C13H14N8O2.Na/c22-13-10(20-2-1-16-18-20)8-17-21(13)12-7-11(14-9-15-12)19-3-5-23-6-4-19;/h1-2,7-9H,3-6H2,(H,17,22);/q;+1/p-1
- IUPAC Name
- sodium 2-[6-(morpholin-4-yl)pyrimidin-4-yl]-3-oxo-4-(1H-1,2,3-triazol-1-yl)-2,3-dihydro-1H-pyrazol-1-ide
- SMILES
- [Na+].O=C1N([N-]C=C1N1C=CN=N1)C1=CC(=NC=N1)N1CCOCC1
- External Links
- ChemSpider
- 32699298
- Predicted Properties
Property Value Source Water Solubility 13.5 mg/mL ALOGPS logP -0.68 ALOGPS logP -0.33 Chemaxon logS -1.4 ALOGPS pKa (Strongest Acidic) 5.2 Chemaxon pKa (Strongest Basic) 4.7 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 98.5 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 92.92 m3·mol-1 Chemaxon Polarizability 30.72 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 No Chemaxon