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Application Area
Environmental
Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Clinical diagnostic
Clinical diagnostic

In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.

Organic Chemistry
Organic Chemistry

Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.

Metabolic Research
Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

Celecoxib carboxylic acid-[d4]

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General Information
Catalog: BLP-002201
CAS: 1261396-12-6
Molecular Formula: C17H8D4F3N3O4S
Molecular Weight: 415.38
Chemical Structure
Celecoxib carboxylic acid-[d4]
Description Celecoxib carboxylic acid-[d4], is the labelled analogue of Celecoxib carboxylic acid. Celecoxib Carboxylic Acid is a metabolite of Celecoxib, a COX-2 inhibitor and nonsteroidal anti-inflammatory drug.
Synonyms Celecoxib carboxylic acid D4
IUPAC Name 2,3,5,6-tetradeuterio-4-[2-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzoic acid
Related CAS 170571-01-4 (unlabelled)
Canonical SMILES C1=CC(=CC=C1C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)C(=O)O
InChI InChI=1S/C17H12F3N3O4S/c18-17(19,20)15-9-14(10-1-3-11(4-2-10)16(24)25)23(22-15)12-5-7-13(8-6-12)28(21,26)27/h1-9H,(H,24,25)(H2,21,26,27)/i1D,2D,3D,4D
InChI Key WTHNOVFEXONZMI-RHQRLBAQSA-N
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