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spironolactone

Properties

Image

Occurences in reactions

MNX_ID

MNXM82629

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₄H₃₂O₄S

charge

mass

416.20213

reference

chebi:9241

InChIKey

LXMSZDCAJNLERA-ZHYRCANASA-N

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

SMILES

CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@@H]21

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:9241 chebi:9241	spironolactone 7alpha-(acetylsulfanyl)-3-oxo-17alpha-pregn-4-ene-21,17-carbolactone Spironolactone espironolactona spironolactonum spironolattone
seed.compound:cpd04516 seedM:cpd04516 kegg.compound:C07310 keggC:C07310	Spironolactone
kegg.drug:D00443 keggD:D00443	Spironolactone (JP18/USP/INN) Aldactone (TN)
hmdb:HMDB0014565	Spironolactone (1'S,2R,2'R,9'R,10'R,11'S,15'S)-9'-(acetylsulfanyl)-2',15'-dimethylspiro[oxolane-2,14'-tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan]-6'-ene-5,5'-dione Aldactone Aldactone a Alphapharm brand OF spironolactone Alpharma brand OF spironolactone Alter brand OF spironolactone Aquareduct Ashbourne brand OF spironolactone Azupharma brand OF spironolactone Betapharm brand OF spironolactone CT Arzneimittel brand OF spironolactone CT, Spiro von CT-Arzneimittel brand OF spironolactone Cardel brand OF spironolactone Dexo brand OF spironolactone Duraspiron Espironolactona Espironolactona alter Espironolactona mundogen Flumach Frumikal Generosan brand OF spironolactone Hormosan brand OF spironolactone Jenapharm brand OF spironolactone Jenaspiron Mayoly-spindler brand OF spironolactone Merck dura brand OF spironolactone Mundogen brand OF spironolactone Novo spiroton Novo-spiroton NovoSpiroton Novopharm brand OF spironolactone Pfizer brand OF spironolactone Pharmafrid brand OF spironolactone Practon Roche brand OF spironolactone Searle brand OF spironolactone Spiractin Spiro l.u.t. Spiro von CT Spirobeta Spirogamma Spirolactone Spirolang Spirono isis Spirono-isis Spironolactonum Spironolattone Spironone Spirospare Veroshpiron Verospiron Verospirone Von CT, spiro Wörwag brand OF spironolactone spironolactone
CHEBI:95199 chebi:95199	ethanethioic acid S-(10,13-dimethyl-3,5'-dioxo-7-spiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]yl) ester
hmdb:HMDB14565 chebi:45692 keggC:M_C07310 keggD:M_D00443 seedM:M_cpd04516	secondary/obsolete/fantasy identifier