Amfenac sodium anhydrousProduct ingredient for Amfenac
- Name
- Amfenac sodium anhydrous
- Drug Entry
- Amfenac
- Accession Number
- DBSALT003058
- Structure
Structure for Amfenac sodium anhydrous (DBSALT003058)
- Synonyms
- Sodium 2-amino-3-benzoylbenzeneacetate
- External IDs
- AHR-5850
- UNII
- C20288EWAG
- CAS Number
- 61941-56-8
- Weight
- Average: 277.255
Monoisotopic: 277.07148753 - Chemical Formula
- C15H12NNaO3
- InChI Key
- MJAQSCHBMPGJES-UHFFFAOYSA-M
- InChI
- InChI=1S/C15H13NO3.Na/c16-14-11(9-13(17)18)7-4-8-12(14)15(19)10-5-2-1-3-6-10;/h1-8H,9,16H2,(H,17,18);/q;+1/p-1
- IUPAC Name
- sodium 2-(2-amino-3-benzoylphenyl)acetate
- SMILES
- [Na+].NC1=C(CC([O-])=O)C=CC=C1C(=O)C1=CC=CC=C1
- External Links
- ChemSpider
- 39927
- BindingDB
- 50224285
- ChEBI
- 75918
- ChEMBL
- CHEMBL435759
- Predicted Properties
Property Value Source Water Solubility 0.074 mg/mL ALOGPS logP 2.49 ALOGPS logP 2.89 Chemaxon logS -3.6 ALOGPS pKa (Strongest Acidic) 3.95 Chemaxon pKa (Strongest Basic) 1.77 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 83.22 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 83.48 m3·mol-1 Chemaxon Polarizability 25.83 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon