CHEBI:44445 - nimesulide

ChEBI IDCHEBI:44445
ChEBI Namenimesulide
Stars
DefinitionAn aromatic ether having phenyl and 2-methylsulfonamido-5-nitrophenyl as the two aryl groups.
Secondary ChEBI IDsCHEBI:7574, CHEBI:44440
Last Modified22 February 2017
DownloadsMolfile
FormulaC13H12N2O5S
Net Charge0
Average Mass308.315
Monoisotopic Mass308.04669
SMILESCS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1
InChIInChI=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
InChIKeyHYWYRSMBCFDLJT-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
cyclooxygenase 2 inhibitor  A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 2.
analgesic  An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms.
Applications:
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.
analgesic  An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
nimesulide (CHEBI:44445) has functional parent nitrobenzene (CHEBI:27798)
nimesulide (CHEBI:44445) has role analgesic (CHEBI:35480)
nimesulide (CHEBI:44445) has role antineoplastic agent (CHEBI:35610)
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
INN  Source
nimesulidaWHO MedNet
Synonyms  Source
4-NITRO-2-PHENOXYMETHANESULFONANILIDEPDBeChem
4'-nitro-2'-phenoxymethanesulfonanilideChemIDplus
NimesulideKEGG DRUG
NSC-758412ChEMBL
R 805ChEMBL
R-805ChEMBL
Brand Name  Source
AulinChEMBL
Manual XrefsDatabases
1893VSDB
1935DrugCentral
D01049KEGG DRUG
DB04743DrugBank
LSM-3718LINCS
NIMPDBeChem
NimesulideWikipedia
Registry NumbersSources
Beilstein:2421175Beilstein
Reaxys:2421175Reaxys
CAS:51803-78-2ChemIDplus
Citations