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Firocoxib-[d6]

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General Information
Catalog: BLP-011737
CAS: 1353853-37-8
Molecular Formula: C17H14D6O5S
Molecular Weight: 342.44

Chemical Structure

Description	Firocoxib-[d6] is the labelled analogue of Firocoxib, which is a potent and selective cyclooxygenase-2 (COX-2) inhibitor and a nonsteroidal anti-inflammatory drug.
Synonyms	Firocoxib-D6; 3-Cyclopropylmethoxy-4-(4-methanesulfonylphenyl)-5,5-dimethyl-D6-5H-furan-2-one; 3-(Cyclopropylmethoxy)-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone-d6; Equioxx-d6; Equixx-d6; Librens-d6; Previcox-d6; Firocoxib-(5,5-dimethyl-d6)
IUPAC Name	3-(cyclopropylmethoxy)-4-(4-methylsulfonylphenyl)-5,5-bis(trideuteriomethyl)furan-2-one
Related CAS	189954-96-9 (unlabelled)
Canonical SMILES	CC1(C(=C(C(=O)O1)OCC2CC2)C3=CC=C(C=C3)S(=O)(=O)C)C
InChI	InChI=1S/C17H20O5S/c1-17(2)14(12-6-8-13(9-7-12)23(3,19)20)15(16(18)22-17)21-10-11-4-5-11/h6-9,11H,4-5,10H2,1-3H3/i1D3,2D3
InChI Key	FULAPETWGIGNMT-WFGJKAKNSA-N
Purity	95% by HPLC; 98% atom D
Solubility	Soluble in Acetone Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
Appearance	White Solid
Storage	Store at -20°C