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51803-78-2

51803-78-2 Structure

51803-78-2 Structure
IdentificationMore
[Name]

Nimesulide
[CAS]

51803-78-2
[Synonyms]

4-NITRO-2-PHENOXYMETHANE SULPHONANILIDE
AULIN
FANSIDOL
MESULID
N-(4-NITRO-2-PHENOXY)METHANESULFONANILIDE
N-(4-NITRO-2-PHENOXYPHENYL)METHANESULFONAMIDE
NIMESULIDE
R-805
4’-nitro-2’-phenoxy-methanesulfonanilid
4-nitro-2-phenoxy-methanesulfonanilide
flogovital
n-(4-nitro-2-phenoxyphenyl)-methanesulfonamid
nimed
CETIRIZINE DIHYDROCHLORIDE EPC(CRM STANDARD)
CETIRIZINE DIHYDROCHLORIDE IMP. E (EP):(RS)-2-[2-[2-[4-[(4-CHLOROPHENYL)-PHENYLMETHYL]PIPERAZIN-1-YL]ETHOXY]ETHOXY]ACETIC ACID MM(CRM STANDARD)
CETIRIZINE DIHYDROCHLORIDE MM(CRM STANDARD)
4-Nitro-2-phenoxymethanesulfonamide
Nide
Nidol
Nisuli
[EINECS(EC#)]

257-431-4
[Molecular Formula]

C13H12N2O5S
[MDL Number]

MFCD00079470
[Molecular Weight]

308.31
[MOL File]

51803-78-2.mol
Chemical PropertiesBack Directory
[Appearance]

Yellow Needle-Like Crystals
[Melting point ]

140-146°C
[Boiling point ]

442.0±55.0 °C(Predicted)
[density ]

1.451±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

Practically insoluble in water, freely soluble in acetone, slightly soluble in anhydrous ethanol.
[form ]

neat
[pka]

pKa 6.56± 0.03(H2O,t =25,I=0.02)(Approximate)
[color ]

Light orange to Yellow to Green
[Stability:]

Stable. Incompatible with strong oxidizing agents.
[Water Solubility ]

Soluble in water (<50 &#181;g/ml), 1:10 DMSO:PBS (pH 7.2) (<200 &#181;g/ml), ethanol (1 mg/ml), DMSO (15 mg/ml), DMF (15 mg/ml), chloroform, dichloromethane, acetone (freely soluble), and 1N NaOH.
[Usage]

Antiinflammatory agent. Preferentially inhibits COX-2 over COX-1. Suppresses chemical-induced carcinogenesis in mice and rats. Inhibits LPS-induced TNF-alpha production
[λmax]

391nm(H2O)(lit.)
[Merck ]

14,6548
[InChIKey]

HYWYRSMBCFDLJT-UHFFFAOYSA-N
[CAS DataBase Reference]

51803-78-2(CAS DataBase Reference)
[EPA Substance Registry System]

Methanesulfonamide, N-(4-nitro-2-phenoxyphenyl)- (51803-78-2)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RIDADR ]

UN 2811 6.1/PG 3
[WGK Germany ]

3
[RTECS ]

PB0970000
[HS Code ]

2935.90.9500
[HazardClass ]

6.1
[PackingGroup ]

III
[Toxicity]

LD50 orally in rats: 324 mg/kg (Swingle, Moore)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Dichloromethane-->Acetic acid-->Bromobenzene-->Methanesulfonyl chloride-->Diphenyl ether-->4-Nitro-2-phenoxyaniline-->(2-PHENOXY)METHYLSULFONYLANILINE-->N-(2-Hydroxy-4-nitrophenyl)-phtalimide-->2-Amino-5-nitrophenol
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Nimesulide(51803-78-2).msds
Questions and Answers (Q&A)Back Directory
[Description]

Nimesulide is a relatively COX-2 selective, non-steroidal anti-inflammatory drug (NSAID) with analgesic and antipyretic properties. It is indicated for the treatment of acute pain, symptomatic treatment of osteoarthritis and primary dysmenorrhoea in adolescents and adults. However, due to the risk of causing hepatotoxicity, it should not be taken long-term. It has also been withdrawn from the markets in many countries. It mechanism of action is through targeting on various key mediators in the inflammatory process such as COX-2 mediated prostaglandins, free radicals, proteolytic enzymes and histamine.
[References]

https://en.wikipedia.org/wiki/Nimesulide
https://www.drugbank.ca/drugs/DB04743
Hazard InformationBack Directory
[Chemical Properties]

Yellow Needle-Like Crystals
[Originator]

Riker (USA)
[Uses]

Antiinflammatory agent. Preferentially inhibits COX-2 over COX-1. Suppresses chemical-induced carcinogenesis in mice and rats. Inhibits LPS-induced TNF-alpha production
[Uses]

Antiinflammatory;'Cyclooxygenase 2 inhibitor
[Uses]

For the treatment of acute pain, the symptomatic treatment of osteoarthritis and primary dysmenorrhoea in adolescents and adults above 12 years old.
[Uses]

Labelled Nimesulide (N477500). Antiinflammatory agent. Preferentially inhibits COX-2 over COX-1. Suppresses chemical-induced carcinogenesis in mice and rats. Inhibits LPS-induced TNF-α production.
[Uses]

Labelled Nimesulide . Antiinflammatory agent. Preferentially inhibits COX-2 over COX-1. Suppresses chemical-induced carcinogenesis in mice and rats. Inhibits LPS-induced TNF-α production.;Labeled Nimesulide, intended for use as an internal standard for th
[Uses]

Nimesulide is a selective inhibitor of COX-2. The IC50 values are 70 and 1.27 μM for human recombinant COX-1 and -2 (at 20 μM arachidonic acid), respectively, and 22 and 0.03 μM for ovine COX-1 and -2 (at 100 μM arachidonic acid), respectively.[Cayman Chemical]
[Definition]

ChEBI: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.
[Brand name]

Nimulid.
[General Description]

Nimesulide, a nonsteroidal anti-inflammatory drug (NSAID) belongs to the sulfonanilide class.
[Biological Activity]

Selective, orally active cyclooxygenase-2 (COX-2) inhibitor. Produces potent analgesic, anti-inflammatory and antipyretic activities in vivo . Reported to produce fewer gastrointestinal side effects than standard NSAIDs.牋.
[Biochem/physiol Actions]

Highly selective cyclooxygenase-2 inhibitor.
[Clinical Use]

Nimesulide is a nonsteroidal antiinflammatory/analgesic agent useful in the treatment of rheumatoid arthritis, as well as acute inflammation such as that induced by periodontal surgery or urinary tract infections.
[storage]

Store at 2-8°C
Spectrum DetailBack Directory
[Spectrum Detail]

Nimesulide(51803-78-2)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

51803-78-2(sigmaaldrich)
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