Preferred Name |
spironolactone |
|
Synonyms |
spironolactone spironolactonum spironolattone espironolactona Spironolactone 7alpha-(acetylsulfanyl)-3-oxo-17alpha-pregn-4-ene-21,17-carbolactone |
|
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 |
|
alternative term |
spironolactone spironolactonum spironolattone espironolactona Spironolactone 7alpha-(acetylsulfanyl)-3-oxo-17alpha-pregn-4-ene-21,17-carbolactone |
|
bearer of |
http://purl.obolibrary.org/obo/CHEBI_35498 http://purl.obolibrary.org/obo/CHEBI_35703 http://purl.obolibrary.org/obo/CHEBI_35674 |
|
charge |
0 |
|
database_cross_reference |
PDBeChem:SNL DrugBank:DB00421 Drug_Central:2475 Wikipedia:Spironolactone Patent:US3013012 HMDB:HMDB0014565 PMID:11300427 Reaxys:57767 CAS:52-01-7 KEGG:D00443 Beilstein:57767 KEGG:C07310 |
|
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_alternative_id |
CHEBI:45692 |
|
has_exact_synonym |
Spironolactone 7alpha-(acetylsulfanyl)-3-oxo-17alpha-pregn-4-ene-21,17-carbolactone |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
spironolactone spironolactonum spironolattone espironolactona |
|
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 |
|
RO_0000087 |
http://purl.obolibrary.org/obo/CHEBI_35498 http://purl.obolibrary.org/obo/CHEBI_35703 http://purl.obolibrary.org/obo/CHEBI_35674 |
|
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 |
|
subClassOf |
http://purl.obolibrary.org/obo/CHEBI_51277 http://purl.obolibrary.org/obo/CHEBI_26766 |