Spironolactone

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Systematic / IUPAC Name: S-[(7R,8R,9S,10R,13S,14S,17R)-10,13-Dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-yl] ethanethioate

ID: Reference2228

Other Names: Aldactone;
Verospiron;
Spiroctan;
Spiresis;
Spirolactone ; more

Formula: C24H32O4S

Class: Therapeutics/Prescription Drugs Sports Doping Drugs

Spectral Data

Spironolactone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 8/12/2015 5:45:00 AM
View Mass Spec Data > >

Identificators

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
InChI Key LXMSZDCAJNLERA-ZHYRCANASA-N
Canonical SMILES CC(=O)SC1CC2=CC(=O)CCC2(C3C1C4CCC5(C4(CC3)C)CCC(=O)O5)C
CAS 52017
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Other Names Aldactone;
Verospiron;
Spiroctan;
Spiresis;
Spirolactone;
Spirolang;
Uractone;
Verospirone;
Xenalon;
Aldactone A;
Spironocompren;
Alderon;
Euteberol;
Melarcon;
Spiridon;
Spirone;
Urusonin;
Acelat;
Dira;
Spiro-tablinen;
Spironolactone A;
Spironolattone;
Espironolactona;
Spironolactonum;
Aquareduct;
Aldactide;
Aldopur;
Almatol;
Deverol;
Duraspiron;
Spiretic;
Aldace;
Osyrol;
Altex;
Abbolactone;
Spiroctanie;
Spirolakton;
Diatensec;
Lacalmin;
Lacdene;
Laractone;
Nefurofan;
Sagisal;
Sincomen;
Spiroderm;
Spirolone;
Sprioderm;
Suracton;
Supra-puren;
Verospirone opianin;
SNL;
7-α-Acetylthio-3-oxo-17-α-pregn-4-ene-21,17-β-carbolactone;
Pregn-4-ene-21-carboxylic acid, 7-(acetylthio)-17-hydroxy-3-oxo-, Υ-lactone, (7α,17α)-;
7α-(Acetylsulfanyl)-3-oxo-17α-pregn-4-ene-21,17-carbolactone;
4-Pregnen-21-oic acid-17α-ol-3-one-7α-thiol Υ-lactone 7-acetate;
3-(3-Keto-7-α-acetylthio-17-β-hydroxy-4-androsten-17-α-yl)propionic acid lactone;
17-α-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7-α-mercapto-3-oxo-, Υ-lactone acetate;
17-Hydroxy-7α-mercapto-3-oxo-17α-pregn-4-ene-21-carboxylic acid, Υ-lactone acetate;
17α-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7α-mercapto-3-oxo-, Υ-lactone, acetate;
7α-(Acetylthio)-17α-hydroxy-3-oxopregn-4-ene-21-carboxylic acid Υ-lactone

In Other Databases

ChEMBL CHEMBL1393
ChemIDPlus 000052017
DrugBank DB00421
ChemSpider 5628
PubChem 5833
ChEBI CHEBI:9241
Wikipedia Spironolactone
HMDb HMDB14565
KEGG C07310; D00443