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 |
|---|---|---|
| Comparison of selenium distribution in mice organs after the supplementation with inorganic and organic selenium compound selenosemicarbazide. | 2002 |
|
| The use of mutants to discern the degradation pathway of 3,4'-dichlorobiphenyl in Pseudomonas acidovorans M3GY. | 2002 Oct 1 |
|
| Effects of an inorganic and two new organic compounds of selenium on morphologic blood elements and antioxidant status in mice. | 2003 |
|
| Nitrite reductase genes in halobenzoate degrading denitrifying bacteria. | 2003 Apr 1 |
|
| The strength of dehalogenase-substrate hydrogen bonding correlates with the rate of Meisenheimer intermediate formation. | 2003 Aug 12 |
|
| Bis(micro-4-chlorobenzoato-kappa(2)O:O)bis[(2-aminopyridine-kappaN)silver(I)]. | 2004 Apr |
|
| The purification and characterisation of 4-chlorobenzoate:CoA ligase and 4-chlorobenzoyl CoA dehalogenase from Arthrobacter sp. strain TM-1. | 2004 Apr |
|
| The Hotdog fold: wrapping up a superfamily of thioesterases and dehydratases. | 2004 Aug 12 |
|
| Crystal structure of 4-chlorobenzoate:CoA ligase/synthetase in the unliganded and aryl substrate-bound states. | 2004 Jul 13 |
|
| Advanced oxidation effect of ozonation combined with electrolysis. | 2005 Nov |
|
| The chemometric resolution and quantification of overlapped peaks form comprehensive two-dimensional liquid chromatography. | 2005 Nov 25 |
|
| Screening of organic halogens and identification of chlorinated benzoic acids in carbonaceous meteorites. | 2005 Sep |
|
| Efficiency of activated carbon to transform ozone into *OH radicals: influence of operational parameters. | 2005 Sep |
|
| Different net effect of TiO2 sintering temperature on the photocatalytic removal rates of 4-chlorophenol, 4-chlorobenzoic acid and dichloroacetic acid in water. | 2006 |
|
| Advantages of application of UPLC in pharmaceutical analysis. | 2006 Jan 15 |
|
| Cometabolic degradation of polychlorinated biphenyls at low temperature by psychrotolerant bacterium Hydrogenophaga sp. IA3-A. | 2006 Jul |
|
| Mechanism and pathways of chlorfenapyr photocatalytic degradation in aqueous suspension of TiO2. | 2006 May 15 |
|
| Isomorphous crystals of strychninium 4-chlorobenzoate and strychninium 4-nitrobenzoate. | 2006 Sep |
|
| Metabolism of 4,4'-dichlorobiphenyl by white-rot fungi Phanerochaete chrysosporium and Phanerochaete sp. MZ142. | 2006 Sep |
|
| 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 |
|
| 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 |
|
| 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 |
|
| 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 |
|
| 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 |
|
| Degradation of pCBA by catalytic ozonation in natural water. | 2009 |
|
| 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 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 |
|
| 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
|
| Record UNII |
IC7888DF4L
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Code | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Systematic Name | English | ||
|
Systematic Name | English | ||
|
Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
30747
Created by
admin on Fri Dec 15 17:13:17 GMT 2023 , Edited by admin on Fri Dec 15 17:13:17 GMT 2023
|
PRIMARY | |||
|
DB03728
Created by
admin on Fri Dec 15 17:13:17 GMT 2023 , Edited by admin on Fri Dec 15 17:13:17 GMT 2023
|
PRIMARY | |||
|
4-Chlorobenzoic acid
Created by
admin on Fri Dec 15 17:13:17 GMT 2023 , Edited by admin on Fri Dec 15 17:13:17 GMT 2023
|
PRIMARY | |||
|
6019
Created by
admin on Fri Dec 15 17:13:17 GMT 2023 , Edited by admin on Fri Dec 15 17:13:17 GMT 2023
|
PRIMARY | |||
|
C040768
Created by
admin on Fri Dec 15 17:13:17 GMT 2023 , Edited by admin on Fri Dec 15 17:13:17 GMT 2023
|
PRIMARY | |||
|
IC7888DF4L
Created by
admin on Fri Dec 15 17:13:17 GMT 2023 , Edited by admin on Fri Dec 15 17:13:17 GMT 2023
|
PRIMARY | |||
|
74-11-3
Created by
admin on Fri Dec 15 17:13:17 GMT 2023 , Edited by admin on Fri Dec 15 17:13:17 GMT 2023
|
PRIMARY | |||
|
1112423
Created by
admin on Fri Dec 15 17:13:17 GMT 2023 , Edited by admin on Fri Dec 15 17:13:17 GMT 2023
|
PRIMARY | |||
|
m3396
Created by
admin on Fri Dec 15 17:13:17 GMT 2023 , Edited by admin on Fri Dec 15 17:13:17 GMT 2023
|
PRIMARY | Merck Index | ||
|
DTXSID9024772
Created by
admin on Fri Dec 15 17:13:17 GMT 2023 , Edited by admin on Fri Dec 15 17:13:17 GMT 2023
|
PRIMARY | |||
|
6318
Created by
admin on Fri Dec 15 17:13:17 GMT 2023 , Edited by admin on Fri Dec 15 17:13:17 GMT 2023
|
PRIMARY | |||
|
32738
Created by
admin on Fri Dec 15 17:13:17 GMT 2023 , Edited by admin on Fri Dec 15 17:13:17 GMT 2023
|
PRIMARY | |||
|
200-805-9
Created by
admin on Fri Dec 15 17:13:17 GMT 2023 , Edited by admin on Fri Dec 15 17:13:17 GMT 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
SALT/SOLVATE -> PARENT |
|
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> IMPURITY |
The sum of the percentages of indomethacin related compound A and indomethacin related compound B is NMT 0.2%.
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
|
||
|
PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
|
||
|
PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
|
