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
Thumb
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
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