4'-Hydroxydiclofenac

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Systematic / IUPAC Name: {2-[(2,6-Dichloro-4-hydroxyphenyl)amino]phenyl}acetic acid

ID: Reference3054

Other Names: [o-(2,6-Dichloro-4-hydroxyanilino)phenyl]acetic acid ;
2-[(2,6-Dichloro-4-hydroxyphenyl)amino]benzeneacetic acid;
2-[2-(2,6-Dichloro-4-hydroxyanilino)phenyl]acetic acid;
2-{2-[(2,6-Dichloro-4-hydroxyphenyl)amino]phenyl}acetic acid;
Acetic acid, [o-(2,6-dichloro-4-hydroxyanilino)phenyl]-

Formula: C14H11Cl2NO3

Class: Endogenous Metabolites Therapeutics/Prescription Drugs Sports Doping Drugs

Spectral Data

4'-Hydroxydiclofenac mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 122
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 9/29/2015 7:45:58 AM
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Identificators

InChI 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
Canonical SMILES C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=C(C=C2Cl)O)Cl
CAS 64118849
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Other Names [o-(2,6-Dichloro-4-hydroxyanilino)phenyl]acetic acid ;
2-[(2,6-Dichloro-4-hydroxyphenyl)amino]benzeneacetic acid;
2-[2-(2,6-Dichloro-4-hydroxyanilino)phenyl]acetic acid;
2-{2-[(2,6-Dichloro-4-hydroxyphenyl)amino]phenyl}acetic acid;
Acetic acid, [o-(2,6-dichloro-4-hydroxyanilino)phenyl]- ;
Benzeneacetic acid, 2-[(2,6-dichloro-4-hydroxyphenyl)amino]-

In Other Databases

PubChem 116545
ChemSpider 104192
ChEBI CHEBI:59613
ChemIDPlus 064118849
HMDb HMDB13974