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CHEBI:75408 - sulindac sulfide
| Formula | C20H17FO2S |
| Net Charge | 0 |
| Average Mass | 340.419 |
| Monoisotopic Mass | 340.09333 |
| SMILES | CSc1ccc(/C=C2/C(C)=C(CC(=O)O)c3cc(F)ccc32)cc1 |
| InChI | InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9- |
| InChIKey | LFWHFZJPXXOYNR-MFOYZWKCSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. |
| Applications: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. 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) |
| sulindac sulfide (CHEBI:75408) has functional parent sulindac (CHEBI:9352) |
| sulindac sulfide (CHEBI:75408) has role antineoplastic agent (CHEBI:35610) |
| sulindac sulfide (CHEBI:75408) has role apoptosis inducer (CHEBI:68495) |
| sulindac sulfide (CHEBI:75408) has role non-steroidal anti-inflammatory drug (CHEBI:35475) |
| sulindac sulfide (CHEBI:75408) is a aryl sulfide (CHEBI:35683) |
| sulindac sulfide (CHEBI:75408) is a monocarboxylic acid (CHEBI:25384) |
| sulindac sulfide (CHEBI:75408) is a organofluorine compound (CHEBI:37143) |
| IUPAC Name |
|---|
| {(1Z)-5-fluoro-2-methyl-1-[4-(methylsulfanyl)benzylidene]-1H-inden-3-yl}acetic acid |
| Manual Xrefs | Databases |
|---|---|
| HMDB0060614 | HMDB |
| SFI | PDBeChem |
| JP2005247807 | Patent |
| NZ336035 | Patent |
| Registry Numbers | Sources |
|---|---|
| Reaxys:2950058 | Reaxys |
| CAS:49627-27-2 | ChemIDplus |
| Citations |
|---|