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51803-78-2

51803-78-2 structural image
Product Name: Nimesulide
Formula: C13H12N2O5S
Synonyms: N-(4-Nitro-2-phenoxyphenyl)methanesulfonamide;Nimesulide
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CHEMICAL AND PHYSICAL PROPERTIES

Melting Point 143-144.5 °C
LogP 2.6

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H301:Acute toxicity,oral

COMPUTED DESCRIPTORS

Molecular Weight 308.31 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 308.04669266 g/mol
Monoisotopic Mass 308.04669266 g/mol
Topological Polar Surface Area 110 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 450
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Nimesulide is an aromatic ether having phenyl and 2-methylsulfonamido-5-nitrophenyl as the two aryl groups. It has a role as a cyclooxygenase 2 inhibitor and a non-steroidal anti-inflammatory drug. It is a C-nitro compound, a sulfonamide and an aromatic ether. It is functionally related to a nitrobenzene.

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