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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.

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Metabolic Research

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

N-De(4-sulfonamidophenyl)-N'-(4-sulfonamidophenyl) Celecoxib-[d4]

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General Information
Catalog: BLP-006302
CAS: 1346604-14-5
Molecular Formula: C17H10D4F3N3O2S
Molecular Weight: 385.40
Chemical Structure
N-De(4-sulfonamidophenyl)-N'-(4-sulfonamidophenyl) Celecoxib-[d4]
Description N-De(4-sulfonamidophenyl)-N'-(4-sulfonamidophenyl) Celecoxib-[d4] is the labelled analogue of N-De(4-sulfonamidophenyl)-N'-(4-sulfonamidophenyl) Celecoxib, which is an isomeric impurity of Celecoxib with selective inhibitory activity against human cyclooxygenase-2.
Synonyms N-De(4-sulfonamidophenyl)-N'-[4-sulfonamido(phenyl-d4)] Celecoxib; 4-[3-(4-Methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl](benzene-d4)sulfonamide; Celecoxib EP Impurity B-d4
IUPAC Name 2,3,5,6-tetradeuterio-4-[3-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
Related CAS 331943-04-5 (unlabelled)
Canonical SMILES CC1=CC=C(C=C1)C2=NN(C(=C2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)N
InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)23(22-15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)/i6D,7D,8D,9D
InChI Key LGIMTMFJBCXYRP-YKVCKAMESA-N
Purity >95%
Solubility Slightly soluble in Methanol
Appearance Off-white to Brown Solid
Storage Store at 2-8°C
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