Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C7H5ClO2 |
| Molecular Weight | 156.566 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)C1=CC=C(Cl)C=C1
InChI
InChIKey=XRHGYUZYPHTUJZ-UHFFFAOYSA-N
InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
| Molecular Formula | C7H5ClO2 |
| Molecular Weight | 156.566 |
| Charge | 0 |
| Count |
|
| 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.
Originator
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| The use of mutants to discern the degradation pathway of 3,4'-dichlorobiphenyl in Pseudomonas acidovorans M3GY. | 2002 Oct 1 |
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| Nitrite reductase genes in halobenzoate degrading denitrifying bacteria. | 2003 Apr 1 |
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| Advantages of application of UPLC in pharmaceutical analysis. | 2006 Jan 15 |
|
| Isolation and preliminary characterization of a 3-chlorobenzoate degrading bacteria. | 2007 |
|
| Temperature-dependent biotransformation of 2,4'-dichlorobiphenyl by psychrotolerant Hydrogenophaga strain IA3-A: higher temperatures prevent excess accumulation of problematic meta-cleavage products. | 2007 Apr |
|
| The ROH,UV concept to characterize and the model uv/H202 process in natural waters. | 2007 Apr 1 |
|
| Rational redesign of the 4-chlorobenzoate binding site of 4-chlorobenzoate: coenzyme a ligase for expanded substrate range. | 2007 Dec 18 |
|
| 2-(1H-Benzotriazol-1-yl)-1-(4-bromo-benzo-yl)ethyl 4-methyl-benzoate. | 2007 Dec 6 |
|
| Cloning of the Arthrobacter sp. FG1 dehalogenase genes and construction of hybrid pathways in Pseudomonas putida strains. | 2007 Jul |
|
| Preparation of biotic and abiotic iron oxide nanoparticles (IOnPs) and their properties and applications in heterogeneous catalytic oxidation. | 2007 Jul 1 |
|
| Expeditious and convenient synthesis of pregnanes and its glycosides as potential anti-dyslipidemic and anti-oxidant agents. | 2007 Jul 1 |
|
| 2,2-Dimethyl-5-nitroso-1,3-dioxan-5-yl benzoate, 2,2-dimethyl-5-nitroso-1,3-dioxan-5-yl 4-chlorobenzoate and 5-nitroso-1,3-dioxan-5-yl 4-chlorobenzoate. | 2007 Jun |
|
| Organic micropollutants degradation in ozone-loaded system with perfluorinated solvent. | 2007 Jun |
|
| Degradation of octylphenol and nonylphenol by ozone - part II: indirect reaction. | 2007 Jun |
|
| Analysis of p-chlorobenzoic acid in water by liquid chromatography-tandem mass spectrometry. | 2007 Sep 14 |
|
| Identification of genes coding for hydrolytic dehalogenation in the metagenome derived from a denitrifying 4-chlorobenzoate degrading consortium. | 2008 Apr |
|
| Epimers of bicyclo[2.2.2]octan-2-ol derivatives with antiprotozoal activity. | 2008 Apr |
|
| Oxidation of p-chlorotoluene and cyclohexene catalysed by polymer-anchored oxovanadium(IV) and copper(II) complexes of amino acid derived tridentate ligands. | 2008 Aug 28 |
|
| Mechanism of 4-chlorobenzoate:coenzyme a ligase catalysis. | 2008 Aug 5 |
|
| Structural characterization of a 140 degrees domain movement in the two-step reaction catalyzed by 4-chlorobenzoate:CoA ligase. | 2008 Aug 5 |
|
| Structure and denaturation of 4-chlorobenzoyl coenzyme A dehalogenase from Arthrobacter sp. strain TM-1. | 2008 Feb |
|
| 2-(4-Chloro-benzo-yl)-3,6-dimethoxy-naphthalene. | 2008 Feb 22 |
|
| Diaqua-bis(4-chloro-benzoato-κO)bis-(N,N-diethyl-nicotinamide-κN)manganese(II). | 2008 Feb 29 |
|
| Benzoyl-methyl 4-chloro-benzoate. | 2008 Jan 23 |
|
| FT-IR, FT-Raman spectra and ab initio HF, DFT vibrational analysis of p-chlorobenzoic acid. | 2008 Mar |
|
| (4-Chloro-benzoato)bis(5-methyl-2-pyridylamine)silver(I). | 2008 Mar 29 |
|
| trans-Diaqua-bis(ethyl-enediamine-κN,N')copper(II) bis[3-(3-pyrid-yl)propionate] dihydrate. | 2008 Mar 5 |
|
| Variability of enzyme system of Nocardioform bacteria as a basis of their metabolic activity. | 2008 Mar-Apr |
|
| Degradation of pCBA by catalytic ozonation in natural water. | 2009 |
|
| Degradation of selected pharmaceuticals in aqueous solution with UV and UV/H(2)O(2). | 2009 Apr |
|
| Catalytic ozonation of p-chlorobenzoic acid by activated carbon and nickel supported activated carbon prepared from petroleum coke. | 2009 Apr 15 |
|
| Application of monolithic columns in pharmaceutical analysis. Determination of indomethacin and its degradation products. | 2009 Aug |
|
| Dissecting the role of critical residues and substrate preference of a Fatty Acyl-CoA Synthetase (FadD13) of Mycobacterium tuberculosis. | 2009 Dec 21 |
|
| Ozonation and advanced oxidation by the peroxone process of ciprofloxacin in water. | 2009 Jan 30 |
|
| Ozonation of metoprolol: elucidation of oxidation pathways and major oxidation products. | 2009 Jul 15 |
|
| Toxicity and quantitative structure-activity relationships of benzoic acids to Pseudokirchneriella subcapitata. | 2009 Jun 15 |
|
| The effect of electrode material on the generation of oxidants and microbial inactivation in the electrochemical disinfection processes. | 2009 Mar |
|
| Synthesis of alpha-amyrin derivatives and their in vivo antihyperglycemic activity. | 2009 Mar |
|
| The mechanism of domain alternation in the acyl-adenylate forming ligase superfamily member 4-chlorobenzoate: coenzyme A ligase. | 2009 May 19 |
|
| Analysis of proteins with the 'hot dog' fold: prediction of function and identification of catalytic residues of hypothetical proteins. | 2009 May 28 |
|
| Kinetics and oxidative mechanism for H2O2-enhanced iron-mediated aeration (IMA) treatment of recalcitrant organic compounds in mature landfill leachate. | 2009 Sep 30 |
|
| Induction of functional cytochrome P450 and its involvement in degradation of benzoic acid by Phanerochaete chrysosporium. | 2010 Apr |
|
| Wheel-like Mn(II)6 and Ni(II)6 complexes from the use of 2-pyridinealdoxime and carboxylates. | 2010 Apr 21 |
|
| Synthesis and antimicrobial activity of 3-(1,3,4-Oxadiazol-2-yl)quinazolin-4(3H)-ones. | 2010 Apr-Jun |
|
| Removal of 4-chlorobenzoic acid from spiked hydroponic solution by willow trees (Salix viminalis). | 2010 Aug |
|
| Evolution of absorbance spectra of ozonated wastewater and its relationship with the degradation of trace-level organic species. | 2010 Aug 15 |
|
| Synthesis and antiviral activity of 5‑(4‑chlorophenyl)-1,3,4-thiadiazole sulfonamides. | 2010 Dec 9 |
|
| Application of preparative capillary gas chromatography (pcGC), automated structure generation and mutagenicity prediction to improve effect-directed analysis of genotoxicants in a contaminated groundwater. | 2010 May |
|
| [Degradation of chlorinated biphenyls and products of their bioconversion by Rhodococcus sp. B7a strain]. | 2010 Nov-Dec |
|
| Photoreactivity of carboxylated single-walled carbon nanotubes in sunlight: reactive oxygen species production in water. | 2010 Sep 1 |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 17:13:17 GMT 2023
by
admin
on
Fri Dec 15 17:13:17 GMT 2023
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| Record UNII |
IC7888DF4L
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| Record Status |
Validated (UNII)
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| Record Version |
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DB03728
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4-Chlorobenzoic acid
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PARENT -> IMPURITY |
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