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Nimesulide-[d5]

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General Information
Catalog: BLP-012483
CAS: 1330180-22-7
Molecular Formula: C13H7D5N2O5S
Molecular Weight: 313.34

Chemical Structure

Description	Nimesulide-[d5] is a labelled analogue of Nimesulide which is a selective COX-2 inhibitor.
Synonyms	Nimesulide D5; N-(4-Nitro-2-(phenoxy-d5)phenyl)methanesulfonamide
IUPAC Name	N-[4-nitro-2-(2,3,4,5,6-pentadeuteriophenoxy)phenyl]methanesulfonamide
Related CAS	51803-78-2 (unlabelled)
Canonical SMILES	CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2
InChI	InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3/i2D,3D,4D,5D,6D
InChI Key	HYWYRSMBCFDLJT-VIQYUKPQSA-N
Boiling Point	442.0±55.0 °C at 760 mmHg
Melting Point	144-148°C
Purity	95% by HPLC; 95% atom D
Density	1.5±0.1 g/cm3
Solubility	Soluble in Chloroform, Methanol
Appearance	White to Light Brown Solid
Storage	Store at -20°C