CHEBI:44445 - nimesulide

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ChEBI Name nimesulide
ChEBI ID CHEBI:44445
Definition An aromatic ether having phenyl and 2-methylsulfonamido-5-nitrophenyl as the two aryl groups.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:44440, CHEBI:7574
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Formula C13H12N2O5S
Net Charge 0
Average Mass 308.31000
Monoisotopic Mass 308.047
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
InChIKey HYWYRSMBCFDLJT-UHFFFAOYSA-N
SMILES CS(=O)(=O)Nc1ccc(cc1Oc1ccccc1)[N+]([O-])=O
Roles Classification
Biological Role(s): cyclooxygenase 2 inhibitor
A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 2.
Application(s): non-steroidal anti-inflammatory drug
An anti-inflammatory drug that is not a steroid. In addition to anti-inflammatory actions, non-steroidal anti-inflammatory drugs 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.
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ChEBI Ontology
Outgoing nimesulide (CHEBI:44445) has functional parent nitrobenzene (CHEBI:27798)
nimesulide (CHEBI:44445) has role cyclooxygenase 2 inhibitor (CHEBI:50629)
nimesulide (CHEBI:44445) has role non-steroidal anti-inflammatory drug (CHEBI:35475)
nimesulide (CHEBI:44445) is a C-nitro compound (CHEBI:35716)
nimesulide (CHEBI:44445) is a aromatic ether (CHEBI:35618)
nimesulide (CHEBI:44445) is a sulfonamide (CHEBI:35358)
IUPAC Name
N-(4-nitro-2-phenoxyphenyl)methanesulfonamide
Synonyms Sources
4'-nitro-2'-phenoxymethanesulfonanilide ChemIDplus
4-NITRO-2-PHENOXYMETHANESULFONANILIDE PDBeChem
Nimesulide KEGG DRUG
Manual Xrefs Databases
1893 VSDB
1935 DrugCentral
D01049 KEGG DRUG
DB04743 DrugBank
LSM-3718 LINCS
NIM PDBeChem
Nimesulide Wikipedia
View more database links
Registry Numbers Types Sources
2421175 Beilstein Registry Number Beilstein
2421175 Reaxys Registry Number Reaxys
51803-78-2 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
18426087 PubMed citation Europe PMC
Last Modified
22 February 2017