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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: | 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: | aldosterone antagonist A compound which inhibits or antagonizes the biosynthesis or actions of aldosterone. antihypertensive agent Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism. diuretic An agent that promotes the excretion of urine through its effects on kidney function. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| spironolactone (CHEBI:9241) has role aldosterone antagonist (CHEBI:50844) |
| spironolactone (CHEBI:9241) has role antihypertensive agent (CHEBI:35674) |
| spironolactone (CHEBI:9241) has role diuretic (CHEBI:35498) |
| spironolactone (CHEBI:9241) has role environmental contaminant (CHEBI:78298) |
| 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 |
|---|---|
| Spironolactone | KEGG COMPOUND |
| spironolattone | ChEBI |
| 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 |
|---|