Aminobenzoate sodiumProduct ingredient for Aminobenzoic acid
- Name
- Aminobenzoate sodium
- Drug Entry
- Aminobenzoic acid
A member of the vitamin B complex. It used to be common in sunscreening agents until found to also be a sensitizer. The potassium salt is used therapeutically in fibrotic skin disorders.
- Accession Number
- DBSALT002731
- Structure
Structure for Aminobenzoate sodium (DBSALT002731)
- Synonyms
- Sodium aminobenzoate / Monosodium 4-aminobenzoate / Sodium 4-aminobenzoate / Sodium p-aminobenzoate / Sodium para-aminobenzoate
- UNII
- 75UI7QUZ5J
- CAS Number
- 555-06-6
- Weight
- Average: 159.12
Monoisotopic: 159.02962272 - Chemical Formula
- C7H6NNaO2
- InChI Key
- XETSAYZRDCRPJY-UHFFFAOYSA-M
- InChI
- InChI=1S/C7H7NO2.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,8H2,(H,9,10);/q;+1/p-1
- IUPAC Name
- sodium 4-aminobenzoate
- SMILES
- [Na+].NC1=CC=C(C=C1)C([O-])=O
- External Links
- ChemSpider
- 10668
- ChEMBL
- CHEMBL1762658
- Predicted Properties
Property Value Source Water Solubility 25.3 mg/mL ALOGPS logP 0.75 ALOGPS logP 0.8 Chemaxon logS -0.8 ALOGPS pKa (Strongest Acidic) 4.77 Chemaxon pKa (Strongest Basic) 2.69 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 66.15 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 48.85 m3·mol-1 Chemaxon Polarizability 12.98 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