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H3661

Sigma-Aldrich

4′-Hydroxydiclofenac

≥98% (HPLC)

Synonym(s):

4′-Hydroxy Diclofenac, [2-(2,6-Dichloro-4-hydroxy-phenylamino)phenyl]acetic acid

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About This Item

Empirical Formula (Hill Notation):
C14H11Cl2NO3
CAS Number:
64118-84-9
Molecular Weight:
312.15
Beilstein:
4198042
MDL number:
MFCD01671980
UNSPSC Code:
12161501
PubChem Substance ID:
24895589
NACRES:
NA.47

Quality Level

200

Assay

≥98% (HPLC)

packaging

vial of 5 mg

storage temp.

−20°C

SMILES string

OC(=O)Cc1ccccc1Nc2c(Cl)cc(O)cc2Cl

InChI

1S/C14H11Cl2NO3/c15-10-6-9(18)7-11(16)14(10)17-12-4-2-1-3-8(12)5-13(19)20/h1-4,6-7,17-18H,5H2,(H,19,20)

InChI key

KGVXVPRLBMWZLG-UHFFFAOYSA-N

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General description

4′-Hydroxydiclofenac is an important metabolite of aceclofenac, seen mainly in rats. It is the important oxidative metabolite found in urine.
CYP2C9 metabolite of diclofenac.

Application

4′-Hydroxydiclofenac has been used to investigate the effect of gentiopicroside (GE) on human cytochrome P450 enzymes in vitro. It has also been used as an enzyme marker to study its metabolic activities in different in vitro liver models.

Signal Word

Danger

Hazard Statements

H301,H315,H318,H335,H410

Hazard Classifications

Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Metabolism of Drugs and Other Xenobiotics (2012)
Metabolic profiling of human long-term liver models and hepatic clearance predictions from in vitro data using nonlinear mixed-effects modeling
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The AAPS Journal, 19(2), 534-550 (2017)
In vitro inhibition and induction of human liver cytochrome P450 enzymes by gentiopicroside: potent effect on CYP2A6
Deng Y, et al.
Drug Metabolism and Pharmacokinetics (2013)
Lu Liu et al.
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