Sodium benzoateProduct ingredient for Benzoic acid
- Name
- Sodium benzoate
- Drug Entry
- Benzoic acid
A fungistatic compound that is widely used as a food preservative. It is conjugated to GLYCINE in the liver and excreted as hippuric acid. As the sodium salt form, sodium benzoate is used as a treatment for urea cycle disorders due to its ability to bind amino acids. This leads to excretion of these amino acids and a decrease in ammonia levels. Recent research shows that sodium benzoate may be beneficial as an add-on therapy (1 gram/day) in schizophrenia. Total Positive and Negative Syndrome Scale scores dropped by 21% compared to placebo.
- Accession Number
- DBSALT001289
- Structure
Structure for Sodium benzoate (DBSALT001289)
- Synonyms
- benzoato sódico / benzoato sodio
- UNII
- OJ245FE5EU
- CAS Number
- 532-32-1
- Weight
- Average: 144.1032
Monoisotopic: 144.018724079 - Chemical Formula
- C7H5NaO2
- InChI Key
- WXMKPNITSTVMEF-UHFFFAOYSA-M
- InChI
- InChI=1S/C7H6O2.Na/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1
- IUPAC Name
- sodium benzoate
- SMILES
- [Na+].[O-]C(=O)C1=CC=CC=C1
- External Links
- Human Metabolome Database
- HMDB0303720
- ChemSpider
- 10305
- ChEBI
- 113455
- ChEMBL
- CHEMBL1356
- Wikipedia
- Sodium_benzoate
- Predicted Properties
Property Value Source Water Solubility 12.2 mg/mL ALOGPS logP 1.29 ALOGPS logP 1.63 Chemaxon logS -1.1 ALOGPS pKa (Strongest Acidic) 4.08 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 40.13 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 44.15 m3·mol-1 Chemaxon Polarizability 11.53 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon