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Substance
ID:1818717
Structure
Similarity
Functional Group
Text
ID:304
spironolactone
Chemical Entities of Biological Interest
ID: CHEBI:9241
Names and Identifiers
IUPAC Traditional name
spironolactone
IUPAC name
(1R,3aS,3bR,4R,9aR,9bS,11aS)-4-(acetylsulfanyl)-9a,11a-dimethyl-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolane]-5',7-dione
Synonyms
spironolactone
Spironolactone
spironolattone
International Nonproprietary Name (INN)
espironolactona
spironolactone
spironolactonum
Registration numbers
PubChem CID
5833
CAS Number
52-01-7
Wikipedia Title
Spironolactone
DrugBank ID
DB00421
KEGG ID
C07310
PubMed Citation Links
11300427
Reaxys Registry
57767
ACToR Database
496916-40-6
CHEMBL
CHEMBL1393
CompTox Database
DTXSID6034186
MetaboLights Database
MTBLS1918
MTBLS2349
MTBLS2878
MTBLS379
Protein Data Bank
2ab2
2oax
3vhu
SureChEMBL Database
SCHEMBL20939
Beilstein Number
57767
HMDB Database
HMDB0014565
PDBeChem Database
SNL
MassBank Database
EA290202
EA290208
Patent number
US2008293678
US2008293701
US2008293702
WO2005016286
WO2005018561
WO2005023183
WO2005030135
WO2005030758
WO2005037199
WO2005051386
WO2005060603
WO2005063761
WO2005063762
WO2005077925
WO2005090304
WO2005090305
WO2005105096
WO2006055542
WO2006078995
WO2006083924
WO2006091716
WO2006093864
WO2006099058
WO2006102071
WO2007087278
WO2007092270
WO2007098387
WO2007098390
WO2007111958
WO2007112288
WO2007113851
WO2007117559
WO2007117560
WO2007120523
WO2007120555
WO2007123718
WO2007128349
WO2008122020
WO2008123685
WO2008128647
WO2008149382
WO2008156816
EP1862181
EP1884513
EP1894567
EP1932529
EP1972336
GB2264710
US2004072880
US2004106833
US2005009870
US2005014786
US2005019280
US2005043325
US2005059655
US2005080087
US2005085497
US2005152858
US2005187267
US2005234106
US2006014792
US2006189603
US2006251725
US2007037821
US2007212404
US2007225323
US2007238672
US2007238740
US2007248556
US2007249583
US2007253911
US2007254314
US2007254932
US2007270412
US2008255036
US2008262086
US2008275093
US2008279950
US2008280895
US2008287407
EP0795327
EP1514877
EP1541175
EP1553091
EP1681051
EP1717226
EP1741713
EP1767534
EP1785144
EP1842543
EP1844774
Drug Central Database
2,475
BindingDB Database
50228080
KEGG DRUG Database
D00443
CHEBI ID
CHEBI:9241
CHEBI:45692
PubChem SID
56352940
Properties
No Data Available
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Molecule Details
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.
Molecular Spectra
No Data Available
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References
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