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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-[d7]

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General Information
Catalog: BLP-011836
CAS: 544686-21-7
Molecular Formula: C17H7D7F3N3O2S
Molecular Weight: 388.42
Chemical Structure
Celecoxib-[d7]
Description Celecoxib-[d7] is the labelled analogue of Celecoxib. Celecoxib is a COX-2 inhibitor and nonsteroidal anti-inflammatory drug.
Synonyms Celecoxib D7; 4-​[5-​[4-​(Methyl-​d3)​phenyl-​2,​3,​5,​6-​d4]​-​3-​(trifluoromethyl)​-​1H-​pyrazol-​1-​yl]​-benzenesulfonamide; Celebra-d7; Celecox-d7; Celebrex-d7
IUPAC Name 4-[5-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
Related CAS 169590-42-5 (unlabelled)
Isomeric SMILES [2H]C1=C(C(=C(C(=C1C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)[2H])[2H])C([2H])([2H])[2H])[2H]
Canonical SMILES CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F
InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)/i1D3,2D,3D,4D,5D
InChI Key RZEKVGVHFLEQIL-AAYPNNLASA-N
Melting Point 162-164°C
Purity ≥96%; ≥98% atom D
Solubility Soluble in Chloroform (Slightly), DMSO (Slightly)
Appearance White Solid
Storage Store at -20°C
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