Analyte Name

Hydroxy Celecoxib-d4

CAS Number

1276524-56-1

Molecular Formula

C17H10D4F3N3O3S

Molecular Weight

401.4

Accurate Mass

401.1

SMILES

NS(C(C([2H])=C1[2H])=C([2H])C([2H])=C1N2C(C3=CC=C(CO)C=C3)=CC(C(F)(F)F)=N2)(=O)=O

InChI

InChI=1S/C17H14F3N3O3S/c18-17(19,20)16-9-15(12-3-1-11(10-24)2-4-12)23(22-16)13-5-7-14(8-6-13)27(21,25)26/h1-9,24H,10H2,(H2,21,25,26)/i5D,6D,7D,8D

IUPAC

4-(5-(4-(hydroxymethyl)phenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzene-2,3,5,6-d4-sulfonamide

Unlabelled CAS Number

170571-00-3

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled; Bioactive Small Molecule

Product Format

Neat