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CHEBI:75321 - nitrosulindac
| Formula | C24H24FNO6S |
| Net Charge | 0 |
| Average Mass | 473.522 |
| Monoisotopic Mass | 473.13084 |
| SMILES | CC1=C(CC(=O)OCCCCO[N+](=O)[O-])c2cc(F)ccc2/C1=C\c1ccc(S(C)=O)cc1 |
| InChI | InChI=1S/C24H24FNO6S/c1-16-21(13-17-5-8-19(9-6-17)33(2)30)20-10-7-18(25)14-23(20)22(16)15-24(27)31-11-3-4-12-32-26(28)29/h5-10,13-14H,3-4,11-12,15H2,1-2H3/b21-13- |
| InChIKey | CMZSMYLJISCEDU-BKUYFWCQSA-N |
| Roles Classification |
|---|
| Biological Roles: | apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor A compound or agent that combines with cyclooxygenases (EC 1.14.99.1) and thereby prevents its substrate-enzyme combination with arachidonic acid and the formation of icosanoids, prostaglandins, and thromboxanes. |
| Applications: | prodrug A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug. 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. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| nitrosulindac (CHEBI:75321) has functional parent sulindac (CHEBI:9352) |
| nitrosulindac (CHEBI:75321) has parent hydride indene (CHEBI:37910) |
| nitrosulindac (CHEBI:75321) has role antineoplastic agent (CHEBI:35610) |
| nitrosulindac (CHEBI:75321) has role apoptosis inducer (CHEBI:68495) |
| nitrosulindac (CHEBI:75321) has role EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor (CHEBI:35544) |
| nitrosulindac (CHEBI:75321) has role non-steroidal anti-inflammatory drug (CHEBI:35475) |
| nitrosulindac (CHEBI:75321) has role prodrug (CHEBI:50266) |
| nitrosulindac (CHEBI:75321) is a carboxylic ester (CHEBI:33308) |
| nitrosulindac (CHEBI:75321) is a nitrate ester (CHEBI:51080) |
| nitrosulindac (CHEBI:75321) is a organofluorine compound (CHEBI:37143) |
| nitrosulindac (CHEBI:75321) is a sulfoxide (CHEBI:22063) |
| IUPAC Name |
|---|
| 4-(nitrooxy)butyl {(1Z)-5-fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1H-inden-3-yl}acetate |
| Synonym | Source |
|---|---|
| NCX 1102 | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:10305661 | Reaxys |
| Citations |
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