Acedoben sodiumProduct ingredient for Acedoben
- Name
- Acedoben sodium
- Drug Entry
- Acedoben
- Accession Number
- DBSALT002366
- Structure
Structure for Acedoben sodium (DBSALT002366)
- Synonyms
- Not Available
- UNII
- IO8823D6X7
- CAS Number
- 29305-16-6
- Weight
- Average: 201.157
Monoisotopic: 201.0401874 - Chemical Formula
- C9H8NNaO3
- InChI Key
- QCTHGBUDZUJILN-UHFFFAOYSA-M
- InChI
- InChI=1S/C9H9NO3.Na/c1-6(11)10-8-4-2-7(3-5-8)9(12)13;/h2-5H,1H3,(H,10,11)(H,12,13);/q;+1/p-1
- IUPAC Name
- sodium 4-acetamidobenzoate
- SMILES
- [Na+].CC(=O)NC1=CC=C(C=C1)C([O-])=O
- External Links
- ChemSpider
- 31784
- ChEMBL
- CHEMBL1762661
- Predicted Properties
Property Value Source Water Solubility 1.51 mg/mL ALOGPS logP 1.11 ALOGPS logP 0.87 Chemaxon logS -2.1 ALOGPS pKa (Strongest Acidic) 4.16 Chemaxon pKa (Strongest Basic) -4.4 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 69.23 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 59.01 m3·mol-1 Chemaxon Polarizability 17.34 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon