Nimesulid

Nimesulide

HCID 4495CAS 51803-78-2

Grundinformationen

Standard-SMILES
CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1
InChIKey
HYWYRSMBCFDLJT-UHFFFAOYSA-N
Summenformel
C13H12N2O5S
Durchschnittliche Molmasse
308,31 g/mol
Monoisotopische Masse
308,04669266

Namen und Bezeichner

Bevorzugter Name
Nimesulide
IUPAC
N-(4-nitro-2-phenoxyphenyl)methanesulfonamide
Lokaler Name
Nimesulid
Englischer Name
Nimesulide
Summenformel
C13H12N2O5S
Molmasse
308.31

Namen und Synonyme

nimesulide51803-78-2N-(4-Nitro-2-phenoxyphenyl)methanesulfonamideAulinR-805Nimesulida4-NITRO-2-PHENOXYMETHANESULFONANILIDEMethanesulfonamide, N-(4-nitro-2-phenoxyphenyl)-NimesulidumR 8054'-Nitro-2'-phenoxymethanesulfonanilideDTXSID3037250
Weitere Namen anzeigen
Nimesulide-d5Nimesulide for peak identificationNideNidolnimedAufinNisuli
NSC-758412V4TKW1454MDTXCID1017250CHEBI:44445N-(4-nitro-2-(phenoxy)phenyl)methanesulfonamideN-[4-nitro-2-(phenoxy)phenyl]methanesulfonamideRefChem:6063M01AX17

Datenbank-Bezeichner

CAS
51803-78-2
PubChem CID
4495
DTXSID
DTXSID3037250
ChEMBL
CHEMBL56367
ChEBI
CHEBI:44445
UNII
V4TKW1454M
EC Number
257-431-4
Nikkaji
J12.917H

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,6
Polarare Oberfläche (TPSA)
110 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
6
Frei drehbare Bindungen
4
Schwere Atome
21

Physikochemische Eigenschaften

Schmelzpunkt
140 · 140-146°C
Siedepunkt
442 · 442.0±55.0 °C(Predicted)
Dichte
1.451 · 1.451±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
Löslichkeit
Practically insoluble in water, freely soluble in acetone, slightly soluble in anhydrous ethanol.
pka
6.56 · pKa 6.56± 0.03(H2O,t =25,I=0.02)(Approximate)

Sicherheit und Regulatorisches

Sicherheitsdaten

wgk
3
ridadr
UN 2811 6.1/PG 3
hs_code
2935.90.9500
RTECS-Nr.
PB0970000
risk_code
22-36/37/38
Toxizität
LD50 orally in rats: 324 mg/kg (Swingle, Moore)

Chemie und Industrie

Anwendungen · 2 Einträge

BeschreibungNimesulide 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 It has also been withdrawn from the markets in many countries.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.

VerwendenLabelled 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.

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海策嵘生物科技有限公司[email protected]
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湖北金梭生物科技有限公司00123456789 · [email protected]

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