Aminobenzoate potassiumProduct ingredient for Aminobenzoic acid

Name
Aminobenzoate potassium
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
DBSALT002730
Structure
Thumb
Synonyms
Aminobenzoate potassium / Potassium 4-aminobenzoate / Potassium aminobenzoate / Potassium p-aminobenzoate
UNII
41KZS5432U
CAS Number
138-84-1
Weight
Average: 175.228
Monoisotopic: 175.00355993
Chemical Formula
C7H6KNO2
InChI Key
MZKKJVZIFIQOPP-UHFFFAOYSA-M
InChI
InChI=1S/C7H7NO2.K/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,8H2,(H,9,10);/q;+1/p-1
IUPAC Name
potassium 4-aminobenzoate
SMILES
[K+].NC1=CC=C(C=C1)C([O-])=O
ChemSpider
8415
ChEMBL
CHEMBL1564391
Predicted Properties
PropertyValueSource
Water Solubility34.7 mg/mLALOGPS
logP0.55ALOGPS
logP0.8ChemAxon
logS-0.7ALOGPS
pKa (Strongest Acidic)4.77ChemAxon
pKa (Strongest Basic)2.69ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area66.15 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity48.85 m3·mol-1ChemAxon
Polarizability12.98 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon