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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 1 inhibitor A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 1. cyclooxygenase 2 inhibitor A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 2. 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: | 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. 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. |
| 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 |
| Flurbinitroxybutylester | ChemIDplus |
| Nitroxybutyl flurbiprofen | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| HMDB0255648 | HMDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:8433798 | Reaxys |
| CAS:158836-71-6 | ChemIDplus |
| Citations |
|---|