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CHEBI:9241 - spironolactone
| Formula | C24H32O4S |
| Net Charge | 0 |
| Average Mass | 416.583 |
| Monoisotopic Mass | 416.20213 |
| SMILES | [H][C@]12CC[C@]3(C)[C@]4(CCC(=O)O4)CC[C@@]3([H])[C@]1([H])[C@H](SC(C)=O)CC1=CC(=O)CC[C@@]12C |
| InChI | InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1 |
| InChIKey | LXMSZDCAJNLERA-ZHYRCANASA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Chemical Role: | environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. |
| Biological Roles: | antiviral agent A substance that destroys or inhibits replication of viruses. xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. aldosterone antagonist A compound which inhibits or antagonizes the biosynthesis or actions of aldosterone. |
| Applications: | antirheumatic drug A drug used to treat rheumatoid arthritis. hepatoprotective agent Any compound that is able to prevent damage to the liver. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. diuretic An agent that promotes the excretion of urine through its effects on kidney function. antifibrotic agent Any agent which acts to reduce fibrosis. ophthalmology drug Any compound used for the treatment of eye conditions or eye diseases. anti-arrhythmia drug A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres. antihypertensive agent Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism. renoprotective agent Any compound that is able to prevent damage to the kidneys. aldosterone antagonist A compound which inhibits or antagonizes the biosynthesis or actions of aldosterone. hypoglycemic agent A drug which lowers the blood glucose level. cardiovascular drug A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| spironolactone (CHEBI:9241) has role aldosterone antagonist (CHEBI:50844) |
| spironolactone (CHEBI:9241) has role anti-arrhythmia drug (CHEBI:38070) |
| spironolactone (CHEBI:9241) has role antifibrotic agent (CHEBI:233423) |
| spironolactone (CHEBI:9241) has role antihypertensive agent (CHEBI:35674) |
| spironolactone (CHEBI:9241) has role antineoplastic agent (CHEBI:35610) |
| spironolactone (CHEBI:9241) has role antirheumatic drug (CHEBI:35842) |
| spironolactone (CHEBI:9241) has role antiviral agent (CHEBI:22587) |
| spironolactone (CHEBI:9241) has role cardiovascular drug (CHEBI:35554) |
| spironolactone (CHEBI:9241) has role diuretic (CHEBI:35498) |
| spironolactone (CHEBI:9241) has role environmental contaminant (CHEBI:78298) |
| spironolactone (CHEBI:9241) has role hepatoprotective agent (CHEBI:62868) |
| spironolactone (CHEBI:9241) has role hypoglycemic agent (CHEBI:35526) |
| spironolactone (CHEBI:9241) has role ophthalmology drug (CHEBI:66981) |
| spironolactone (CHEBI:9241) has role renoprotective agent (CHEBI:231911) |
| spironolactone (CHEBI:9241) has role xenobiotic (CHEBI:35703) |
| spironolactone (CHEBI:9241) is a 3-oxo-Δ4 steroid (CHEBI:47909) |
| spironolactone (CHEBI:9241) is a oxaspiro compound (CHEBI:37948) |
| spironolactone (CHEBI:9241) is a steroid lactone (CHEBI:26766) |
| spironolactone (CHEBI:9241) is a thioester (CHEBI:51277) |
| IUPAC Name |
|---|
| 7α-(acetylsulfanyl)-3-oxo-17α-pregn-4-ene-21,17-carbolactone |
| INNs | Source |
|---|---|
| espironolactona | ChEBI |
| spironolactone | ChEBI |
| spironolactonum | ChEBI |
| Synonyms | Source |
|---|---|
| NSC-150399 | ChEMBL |
| SC-9420 | ChEMBL |
| Spironolactone | KEGG COMPOUND |
| Spironolactone ceva | ChEMBL |
| spironolattone | ChEBI |
| Verospirone | ChEMBL |
| Brand Names | Source |
|---|---|
| Carospir | ChEMBL |
| Diatensec | ChEMBL |
| Gx spironol | ChEMBL |
| Laractone | ChEMBL |
| Qaialdo | ChEMBL |
| Spiretic | ChEMBL |
| Manual Xrefs | Databases |
|---|---|
| 2475 | DrugCentral |
| C07310 | KEGG COMPOUND |
| D00443 | KEGG DRUG |
| DB00421 | DrugBank |
| HMDB0014565 | HMDB |
| SNL | PDBeChem |
| Spironolactone | Wikipedia |
| US3013012 | Patent |
| Registry Numbers | Sources |
|---|---|
| Reaxys:57767 | Reaxys |
| CAS:52-01-7 | ChemIDplus |
| Citations |
|---|