| Stereochemistry | ACHIRAL |
| Molecular Formula | C7H4ClO2.Na |
| Molecular Weight | 178.548 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[O-]C(=O)C1=CC=C(Cl)C=C1
InChI
InChIKey=GHMWZRWCBLXYBX-UHFFFAOYSA-M
InChI=1S/C7H5ClO2.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H,9,10);/q;+1/p-1
| Molecular Formula | Na |
| Molecular Weight | 22.98976928 |
| Charge | 1 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C7H4ClO2 |
| Molecular Weight | 155.558 |
| Charge | -1 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
p-Chlorobenzoic acid is a major metabolite of analgesic agent zomepirac sodium in rat (present as conjugates) and mouse and a minor one in monkey and man. It is a metabolite of antidepressant Lofepramine hydrochloride, and anxiolytic and a muscle relaxant Chlormezanone too. Sodium salt of p-Chlorobenzoic acid is used as a preservative. p-Chlorobenzoic acid may prove useful clinically to prevent and reverse the accumulation of toxic levels of acyl- and arylCoA esters. If the hepatic damage in Reye’s Syndrome is due to the dead-end formation of the CoA esters of acyl- and aryl-CoA esters, then p-chlorobenzoic acid may block their formation, thereby relieving the inhibitions of gluconeogenesis and urea synthesis and preventing some of the damage to the liver.
