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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/REAXYS Number:
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.

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Danger

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

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

wgk_germany

WGK 3

ppe

Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

Certificates of Analysis (COA)

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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)
Metabolism of Drugs and Other Xenobiotics (2012)
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Kratochwil NA, et al.
The AAPS Journal, 19(2), 534-550 (2017)
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