Nimesulide

Description

Nimesulide · CAS 1364966-82-4 · C13H12N2O5S. UNII V4TKW1454M. Melting Point: 143-144.5 °C; LogP: 2.6; LogP: 1.99.

Identification

CAS Registry Number	1364966-82-4
PubChem CID	4495
Molecular formula	C13H12N2O5S
IUPAC name	N-(4-nitro-2-phenoxyphenyl)methanesulfonamide
UNII (FDA)	V4TKW1454M

Computed Descriptors

Molecular Weight	308.31
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	308.04669266
Monoisotopic Mass	308.04669266
Topological Polar Surface Area	110
Heavy Atom Count	21
Formal Charge	0

Physical & Chemical Properties

Melting Point	143-144.5 °C
LogP	2.6
LogP	1.99

Physical description & handling notes

• 165.8 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID3037250]
• 167.29 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 160.45 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 165.63 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• Food, gender and advanced age have negligible effects on nimesulide pharmacokinetics.

Regulatory Status

GHS notification summary	1.9% (2 / 108)

GHS Hazard Classification

GHS notification summary	1.9% (2 / 108)
Reported hazard statements	H301 (92.6%)

Documented Uses

• For the treatment of acute pain, the symptomatic treatment of osteoarthritis and primary dysmenorrhoea in adolescents and adults above 12 years old.
• Nimesulide is a nonsteroidal antiinflammatory drug (NSAID) with relative specificity for COX-2 that is not available in the United States, but is used widely in other countries in the treatment of acute pain. Nimesulide has been linked to a low rate of transient serum enzyme elevations during therapy, but also to many instances of clinically apparent acute liver injury that can be severe and can result in acute liver failure, need for emergency liver transplantation and death.
• Nonsteroidal Antiinflammatory Drugs
• Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.
• Compounds or agents that combine with cyclooxygenase (PROSTAGLANDIN-ENDOPEROXIDE SYNTHASES) and thereby prevent its substrate-enzyme combination with arachidonic acid and the formation of eicosanoids, prostaglandins, and thromboxanes.
• M01 - Antiinflammatory and antirheumatic products

Synonyms

nimesulide; 51803-78-2; N-(4-Nitro-2-phenoxyphenyl)methanesulfonamide; Aulin; R-805; Nimesulida; 4-NITRO-2-PHENOXYMETHANESULFONANILIDE; Methanesulfonamide, N-(4-nitro-2-phenoxyphenyl)-; Nimesulidum; R 805; 4'-Nitro-2'-phenoxymethanesulfonanilide; DTXSID3037250; NSC-758412; V4TKW1454M; DTXCID1017250; CHEBI:44445

Frequently Asked Questions

What are the CAS number and molecular formula of Nimesulide?

CAS 1364966-82-4; molecular formula C13H12N2O5S; molecular weight — g/mol.

What other names is Nimesulide known by?

nimesulide, 51803-78-2, N-(4-Nitro-2-phenoxyphenyl)methanesulfonamide, Aulin, R-805, Nimesulida.

Is Nimesulide classified as hazardous?

1.9% of GHS notifications report no hazard classification (2 of 108).

What are the key physical properties of Nimesulide?

Melting Point: 143-144.5 °C; LogP: 2.6; LogP: 1.99.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.