Home Other Building Blocks 5-HYDROXY DICLOFENAC

5-HYDROXY DICLOFENAC

CAS No.:
69002-84-2
Catalog Number:
AG00FCFR
Molecular Formula:
C14H11Cl2NO3
Molecular Weight:
312.1480
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$189
- +
5mg
≥98%
1 week
United States
$585
- +
Product Description
Catalog Number:
AG00FCFR
Chemical Name:
5-HYDROXY DICLOFENAC
CAS Number:
69002-84-2
Molecular Formula:
C14H11Cl2NO3
Molecular Weight:
312.1480
MDL Number:
MFCD01672033
IUPAC Name:
2-[2-(2,6-dichloroanilino)-5-hydroxyphenyl]acetic acid
InChI:
InChI=1S/C14H11Cl2NO3/c15-10-2-1-3-11(16)14(10)17-12-5-4-9(18)6-8(12)7-13(19)20/h1-6,17-18H,7H2,(H,19,20)
InChI Key:
VNQURRWYKFZKJZ-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cc(O)ccc1Nc1c(Cl)cccc1Cl
UNII:
GS38436703
Properties
Complexity:
332  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.012g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
312.146g/mol
Monoisotopic Mass:
311.012g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Literature
Title Journal
An evaluation of myeloperoxidase-mediated bio-activation of NSAIDs in promyelocytic leukemia (HL-60) cells for potential cytotoxic selectivity. Toxicology letters 20171005
Diclofenac toxicity in human intestine ex vivo is not related to the formation of intestinal metabolites. Archives of toxicology 20150101
Human NAD(P)H:quinone oxidoreductase 1 (NQO1)-mediated inactivation of reactive quinoneimine metabolites of diclofenac and mefenamic acid. Chemical research in toxicology 20140421
One-electron oxidation of diclofenac by human cytochrome P450s as a potential bioactivation mechanism for formation of 2'-(glutathion-S-yl)-deschloro-diclofenac. Chemico-biological interactions 20140125
Metabolism related toxicity of diclofenac in yeast as model system. Toxicology letters 20110205
Input of selected human pharmaceutical metabolites into the Norwegian aquatic environment. Journal of environmental monitoring : JEM 20110201
Removal of diclofenac and mefenamic acid by the white rot fungus Phanerochaete sordida YK-624 and identification of their metabolites after fungal transformation. Biodegradation 20100901
Diclofenac oxidation by biogenic manganese oxides. Environmental science & technology 20100501
Degradation of the drug sodium diclofenac by Trametes versicolor pellets and identification of some intermediates by NMR. Journal of hazardous materials 20100415
Hepatic clearance of reactive glucuronide metabolites of diclofenac in the mouse is dependent on multiple ATP-binding cassette efflux transporters. Molecular pharmacology 20100401
Diclofenac hypersensitivity: antibody responses to the parent drug and relevant metabolites. PloS one 20100101
Occurrence of diclofenac and its metabolites in surface water and effluent samples from Karachi, Pakistan. Chemosphere 20091001
Occurrence of diclofenac and selected metabolites in sewage effluents. The Science of the total environment 20081101
Oxidation of diclofenac with ozone in aqueous solution. Environmental science & technology 20080901
Transformation of diclofenac by the indigenous microflora of river sediments and identification of a major intermediate. Chemosphere 20070901
Investigation of the immunogenicity of diclofenac and diclofenac metabolites. Toxicology letters 20070110
Efficient high performance liquid chromatograph/ultraviolet method for determination of diclofenac and 4'-hydroxydiclofenac in rat serum. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20060118
Effects of phenobarbital on metabolism and toxicity of diclofenac sodium in rat hepatocytes in vitro. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20041001
Diclofenac-induced antibodies against red blood cells are heterogeneous and recognize different epitopes. Transfusion 20040801
Diclofenac and metabolite pharmacokinetics in children. Paediatric anaesthesia 20040601
Residue analysis of the pharmaceutical diclofenac in different water types using ELISA and GC-MS. Environmental science & technology 20030801
Diclofenac-induced inactivation of CYP3A4 and its stimulation by quinidine. Drug metabolism and disposition: the biological fate of chemicals 20021001
Mechanism-based inactivation of CYP2C11 by diclofenac. Drug metabolism and disposition: the biological fate of chemicals 20010901
Properties