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Vioxx-[d5]

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General Information
Catalog: BLP-012656
CAS: 544684-93-7
Molecular Formula: C17H9D5O4S
Molecular Weight: 319.39

Chemical Structure

Description	Vioxx-[d5] is the labelled analogue of Rofecoxib. Rofecoxib is a selective cyclooxygenase-2 (COX-2) inhibitor.
Synonyms	Vioxx D5; 4-[4-(Methylsulfonyl)phenyl]-3-(phenyl-d5)-2(5H)-furanone; 3-(4-Methanesulfonylphenyl)-2-(phenyl-d5)-2-buten-4-olide
IUPAC Name	3-(4-methylsulfonylphenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)-2H-furan-5-one
Related CAS	162011-90-7 (unlabelled)
Canonical SMILES	CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3
InChI	InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3/i2D,3D,4D,5D,6D
InChI Key	RZJQGNCSTQAWON-VIQYUKPQSA-N
Boiling Point	577.6±50.0 °C at 760 mmHg
Melting Point	208-210°C
Purity	95% by HPLC; 95% atom D
Density	1.3±0.1 g/cm3
Solubility	Soluble in Chloroform, Methanol
Appearance	White Solid
Storage	Store at -20°C