Pirenoxine sodiumProduct ingredient for Pirenoxine
- Name
- Pirenoxine sodium
- Drug Entry
- Pirenoxine
- Accession Number
- DBSALT003106
- Structure
Structure for Pirenoxine sodium (DBSALT003106)
- Synonyms
- Catalin sodium / Pirenoxine sodium salt / Pirfenoxone sodium
- External IDs
- 257-181-6
- UNII
- 95JU7URF64
- CAS Number
- 51410-30-1
- Weight
- Average: 330.231
Monoisotopic: 330.02526561 - Chemical Formula
- C16H7N2NaO5
- InChI Key
- HDQXPMXHXZNPKE-UHFFFAOYSA-M
- InChI
- InChI=1S/C16H8N2O5.Na/c19-9-5-8(16(21)22)18-14-10(20)6-12-15(13(9)14)17-7-3-1-2-4-11(7)23-12;/h1-6H,(H,18,19)(H,21,22);/q;+1/p-1
- IUPAC Name
- sodium 4-hydroxy-12-oxo-12H-10-oxa-1,5-diazatetraphene-2-carboxylate
- SMILES
- [Na+].OC1=C2C(=NC(=C1)C([O-])=O)C(=O)C=C1OC3=C(C=CC=C3)N=C21
- External Links
- ChemSpider
- 171604
- ChEMBL
- CHEMBL2359957
- Predicted Properties
Property Value Source Water Solubility 0.132 mg/mL ALOGPS logP 2.4 ALOGPS logP -0.12 Chemaxon logS -3.4 ALOGPS pKa (Strongest Acidic) 0.79 Chemaxon pKa (Strongest Basic) 6.02 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 111.91 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 92.27 m3·mol-1 Chemaxon Polarizability 28.98 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