loading...| Preferred Name |
spironolactone |
| Synonyms |
spironolactone 7alpha-(acetylsulfanyl)-3-oxo-17alpha-pregn-4-ene-21,17-carbolactone espironolactona spironolattone Spironolactone spironolactonum |
| Definitions |
A steroid lactone that is 17alpha-pregn-4-ene-21,17-carbolactone substituted by an oxo group at position 3 and an alpha-acetylsulfanyl group at position 7. |
| ID |
http://purl.obolibrary.org/obo/CHEBI_9241 |
| charge |
0 |
| database_cross_reference |
Wikipedia:Spironolactone Patent:US3013012 Beilstein:57767 CAS:52-01-7 HMDB:HMDB0014565 Drug_Central:2475 PMID:11300427 PDBeChem:SNL DrugBank:DB00421 KEGG:C07310 KEGG:D00443 Reaxys:57767 |
| definition |
A steroid lactone that is 17alpha-pregn-4-ene-21,17-carbolactone substituted by an oxo group at position 3 and an alpha-acetylsulfanyl group at position 7. |
| formula |
C24H32O4S |
| has role |
http://purl.obolibrary.org/obo/CHEBI_35703 http://purl.obolibrary.org/obo/CHEBI_50844 http://purl.obolibrary.org/obo/CHEBI_35674 |
| has_alternative_id |
CHEBI:45692 |
| has_exact_synonym |
7alpha-(acetylsulfanyl)-3-oxo-17alpha-pregn-4-ene-21,17-carbolactone Spironolactone |
| has_obo_namespace |
chebi_ontology |
| has_related_synonym |
spironolactone espironolactona spironolattone spironolactonum |
| id |
CHEBI:9241 |
| in_subset | |
| 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 |
| label |
spironolactone |
| mass |
416.57448 |
| monoisotopicmass |
416.20213 |
| notation |
CHEBI:9241 |
| prefLabel |
spironolactone |
| smiles |
[H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@@]33CCC(=O)O3)[C@]1([H])[C@@H](CC1=CC(=O)CC[C@]21C)SC(C)=O |
| treeView |
http://purl.obolibrary.org/obo/CHEBI_51277 http://purl.obolibrary.org/obo/CHEBI_47909 |
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_51277 http://purl.obolibrary.org/obo/CHEBI_47909 |