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CHEBI:77428 - nitroflurbiprofen
| Formula | C19H20FNO5 |
| Net Charge | 0 |
| Average Mass | 361.369 |
| Monoisotopic Mass | 361.13255 |
| SMILES | CC(C(=O)OCCCCO[N+](=O)[O-])c1ccc(-c2ccccc2)c(F)c1 |
| InChI | InChI=1S/C19H20FNO5/c1-14(19(22)25-11-5-6-12-26-21(23)24)16-9-10-17(18(20)13-16)15-7-3-2-4-8-15/h2-4,7-10,13-14H,5-6,11-12H2,1H3 |
| InChIKey | DLWSRGHNJVLJAH-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Roles: | cyclooxygenase 2 inhibitor A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 2. cyclooxygenase 1 inhibitor A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 1. EC 1.14.13.39 (nitric oxide synthase) inhibitor An EC 1.14.13.* (oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor) inhibitor that interferes with the action of nitric oxide synthase (EC 1.14.13.39). |
| 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. geroprotector Any compound that supports healthy aging, slows the biological aging process, or extends lifespan. vasodilator agent A drug used to cause dilation of the blood vessels. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| nitroflurbiprofen (CHEBI:77428) has functional parent flurbiprofen (CHEBI:5130) |
| nitroflurbiprofen (CHEBI:77428) has role cyclooxygenase 1 inhibitor (CHEBI:50630) |
| nitroflurbiprofen (CHEBI:77428) has role cyclooxygenase 2 inhibitor (CHEBI:50629) |
| nitroflurbiprofen (CHEBI:77428) has role EC 1.14.13.39 (nitric oxide synthase) inhibitor (CHEBI:61908) |
| nitroflurbiprofen (CHEBI:77428) has role geroprotector (CHEBI:176497) |
| nitroflurbiprofen (CHEBI:77428) has role non-steroidal anti-inflammatory drug (CHEBI:35475) |
| nitroflurbiprofen (CHEBI:77428) has role vasodilator agent (CHEBI:35620) |
| nitroflurbiprofen (CHEBI:77428) is a biphenyls (CHEBI:22888) |
| nitroflurbiprofen (CHEBI:77428) is a carboxylic ester (CHEBI:33308) |
| nitroflurbiprofen (CHEBI:77428) is a nitrate ester (CHEBI:51080) |
| nitroflurbiprofen (CHEBI:77428) is a organofluorine compound (CHEBI:37143) |
| IUPAC Name |
|---|
| 4-(nitrooxy)butyl 2-(2-fluorobiphenyl-4-yl)propanoate |
| Synonyms | Source |
|---|---|
| 4-(Nitrooxy)butyl 2-fluoro-alpha-methyl-(1,1'-biphenyl)-4-acetate | ChemIDplus |
| Nitroxybutyl flurbiprofen | ChemIDplus |
| Flurbinitroxybutylester | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| HMDB0255648 | HMDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:8433798 | Reaxys |
| CAS:158836-71-6 | ChemIDplus |
| Citations |
|---|