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
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
Human Metabolome Database
HMDB0303720
ChemSpider
10305
ChEBI
113455
ChEMBL
CHEMBL1356
Wikipedia
Sodium_benzoate
Predicted Properties
PropertyValueSource
Water Solubility12.2 mg/mLALOGPS
logP1.29ALOGPS
logP1.63Chemaxon
logS-1.1ALOGPS
pKa (Strongest Acidic)4.08Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area40.13 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity44.15 m3·mol-1Chemaxon
Polarizability11.53 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon