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1189656-64-1

1189656-64-1 Structure

1189656-64-1 Structure
IdentificationBack Directory
[Name]

2-[(2,6-Dichloro-4-hydroxyphenyl)amino](benzene-13C6)acetic Acid
[CAS]

1189656-64-1
[Synonyms]

4’-Hydroxy Diclofenac-13C6
4′-Hydroxydiclofenac-13C6 solution
4'-Hydroxy Diclofenac-13C6 (Contain 3% unlabeled)
2-[(2,6-Dichloro-4-hydroxyphenyl)amino](benzene-13C6)acetic Acid
[EINECS(EC#)]

200-659-6
[Molecular Formula]

C14H11Cl2NO3
[MDL Number]

MFCD16294731
[MOL File]

1189656-64-1.mol
[Molecular Weight]

312.148
Chemical PropertiesBack Directory
[Appearance]

Pale-Grey Solid
[Melting point ]

150-1520C (dec.)
[Fp ]

9℃
[storage temp. ]

-20°C Freezer, Under Inert Atmosphere
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[color ]

White to Light Grey
[Major Application]

clinical testing
[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)/i1+1,2+1,3+1,4+1,8+1,12+1
[InChIKey]

KGVXVPRLBMWZLG-OLWCKNASSA-N
[SMILES]

OC(=O)C[13c]1[13cH][13cH][13cH][13cH][13c]1Nc2c(Cl)cc(O)cc2Cl
Hazard InformationBack Directory
[Chemical Properties]

Pale-Grey Solid
[Uses]

A labeled metabolite of Diclofenac, a nonsteroidal anti-inflammatory compound and cyclooxygenase (COX) inhibitor
[Uses]

A Labelled metabolite of Diclofenac, a nonsteroidal anti-inflammatory compound and cyclooxygenase (COX) inhibitor.
[Uses]

Isotope labelled metabolite of Diclofenac, a nonsteroidal inflammatory compound and cyclooxygenase (COX) inhibitor.
[General Description]

A stable-labeled internal standard for diclofenac testing or isotope dilution methods by GC/MS or LC/MS for pharmaceutical research, urine drug testing, pain prescription monitoring or forensic analysis. 4′-Hydroxydiclofenac is a major metabolite of diclofenac, a COX-2 inhibitor used for the treatment of minor aches, pains, and fever.
Safety DataBack Directory
[Hazard Codes ]

F,T
[Risk Statements ]

11-23/24/25-39/23/24/25
[Safety Statements ]

7-16-36/37-45
[RIDADR ]

UN1230 - class 3 - PG 2 - Methanol, solution
[WGK Germany ]

1
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Flam. Liq. 2
STOT SE 1
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