5-Hydroxydiclofenac

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Systematic / IUPAC Name: {2-[(2,6-Dichlorophenyl)amino]-5-hydroxyphenyl}acetic acid

ID: Reference3055

Other Names: 2-[(2,6-Dichloroanilino)-5-hydroxyphenyl]acetic acid;
2-[(2,6-Dichlorophenyl)amino]-5-hydroxy-benzeneacetic acid;
5-Hydroxy-diclofenac;
Acetic acid, [2-(2,6-dichloroanilino)-5-hydroxyphenyl]- ;
Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-5-hydroxy-

Formula: C14H11Cl2NO3

Class: Endogenous Metabolites Therapeutics/Prescription Drugs Sports Doping Drugs

Spectral Data

5-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 7:54:27 AM
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Identificators

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
Canonical SMILES C1=CC(=C(C(=C1)Cl)NC2=C(C=C(C=C2)O)CC(=O)O)Cl
CAS 69002842
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Other Names 2-[(2,6-Dichloroanilino)-5-hydroxyphenyl]acetic acid;
2-[(2,6-Dichlorophenyl)amino]-5-hydroxy-benzeneacetic acid;
5-Hydroxy-diclofenac;
Acetic acid, [2-(2,6-dichloroanilino)-5-hydroxyphenyl]- ;
Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-5-hydroxy-

In Other Databases

HMDb HMDB60542
ChEBI CHEBI:59612
ChemSpider 2314362
PubChem 3052566
ChemIDPlus 069002842