Deracoxib

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Systematic / IUPAC Name: 4-[3-(Difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-1-yl]benzenesulfonamide

ID: Reference7253

Other Names: Deracoxibum;
Deram;
Deramaxx;
4-[3-(Difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide;
Benzenesulfonamide, 4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-1-yl]-

Formula: C17H14F3N3O3S

Spectral Data

Deracoxib 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 Orbitrap
No. of Spectral Trees 2
No. of Spectra 349
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/12/2018 9:02:39 AM
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Identificators

InChI InChI=1S/C17H14F3N3O3S/c1-26-16-7-2-10(8-13(16)18)15-9-14(17(19)20)22-23(15)11-3-5-12(6-4-11)27(21,24)25/h2-9,17H,1H3,(H2,21,24,25)
InChI Key WAZQAZKAZLXFMK-UHFFFAOYSA-N
Canonical SMILES COC1=C(C=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)F)F
CAS 169590414
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Other Names Deracoxibum;
Deram;
Deramaxx;
4-[3-(Difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide;
Benzenesulfonamide, 4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-1-yl]-

In Other Databases

ChemIDPlus 169590414
KEGG D03689
Wikipedia Deracoxib
ChEBI CHEBI:73032
PubChem 3058754
ChEMBL CHEMBL28636
ChemSpider 2319853