General Information of the Compound
| Compound ID |
CP0035175
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| Compound Name |
2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrofuran-2,14'-tetracyclo[8.7.0.02,7.011,15]heptadec-6'-ene]-9-yl ethanethioate
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| Synonyms |
4-Pregnen-21-oic acid-17alpha-ol-3-one-7alpha-thiol gamma-lactone 7-acetate
7-alpha-Acetylthio-3-oxo-17-alpha-pregn-4-ene-21,17-beta-carbolactone
7alpha-(acetylsulfanyl)-3-oxo-17alpha-pregn-4-ene-21,17-carbolactone
Abbolactone
Acelat
Aldace
Aldactazide
Aldactazide (TN)
Aldactide
Aldactone
Aldactone (TN)
Aldactone A
Alderon
Aldopur
Almatol
Alphapharm Brand of Spironolactone
Alpharma Brand of Spironolactone
Alter Brand of Spironolactone
Altex
Aquareduct
Ashbourne Brand of Spironolactone
Azupharma Brand of Spironolactone
Berlactone (TN)
Betapharm Brand of Spironolactone
Cardel Brand of Spironolactone
Ct Arzneimittel Brand of Spironolactone
Ct-Arzneimittel Brand of Spironolactone
Deverol
Dexo Brand of Spironolactone
Diatensec
Dira
Duraspiron
Espironolactona
Espironolactona Alter
Espironolactona Mundogen
Espironolactona [INN-Spanish]
Euteberol
Flumach
Frumikal
Generosan Brand of Spironolactone
Hormosan Brand of Spironolactone
Jenapharm Brand of Spironolactone
Jenaspiron
LT00772287
Lacalmin
Lacdene
Laractone
Mayoly-Spindler Brand of Spironolactone
Melarcon
Merck dura Brand of Spironolactone
Mundogen Brand of Spironolactone
Nefurofan
Novo Spiroton
Novo-Spiroton
Novo-Spiroton (TN)
NovoSpiroton
Novopharm Brand of Spironolactone
Osyrol
Pfizer Brand of Spironolactone
Pharmafrid Brand of Spironolactone
Practon
Roche Brand of Spironolactone
SC 9420
SC-9420
SC9420
SNL
Sagisal
Searle Brand of Spironolactone
Sincomen
Spiractin
Spiractin (TN)
Spiresis
Spiretic
Spiridon
Spiro L.U.TSpiro von ct
Spiro(17H-cyclopenta(a)phenauthrene-17,2'-(3'H)-furan)
Spiro-Tablinen
Spiro[17H-cyclopenta[a]phenauthrene-17,2'-(3'H)-furan]
Spirobeta
Spiroctan
Spiroctanie
Spiroderm
Spirogamma
Spirolactone
Spirolakton
Spirolang
Spirolone
Spirone
Spirono Isis
Spirono-Isis
Spironocompren
Spironolactone
Spironolactone (JP15/USP/INN)
Spironolactone A
Spironolactone [BAN:INN:JAN]
Spironolactone [INN:BAN:JAN]
Spironolactonum
Spironolactonum [INN-Latin]
Spironolattone
Spironolattone [DCIT]
Spironone
Spirospare
Spirotone (TN)
Sprioderm
Supra-puren
Suracton
Uractone
Urusonin
Veroshpiron
Verospiron
Verospiron (TN)
Verospirone
Verospirone Opianin
Von ct, spiro
Worwag Brand of Spironolactone
Xenalon
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| Structure |
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| Formula |
C24H32O4S
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| Molecular Weight |
416.583
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| Canonical SMILES |
CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12
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| 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
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| InChIKey |
LXMSZDCAJNLERA-ZHYRCANASA-N
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| CAS |
496916-40-6
52-01-7
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00894, Androgen receptor
Protein ID: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT01049, Cytochrome P450 2C19
Protein ID: PT06109, Geminin
Protein ID: PT00967, Glucocorticoid receptor
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT01154, Mineralocorticoid receptor
Cell-based Assay
Protein ID: PT05367, Multidrug and toxin extrusion protein 1
Protein ID: PT01172, Progesterone receptor
Clinical Information about the Compound
Drug 1 ( Spironolactone )
| Drug Name | Spironolactone | ||
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| Company | Pfizer Pharmaceuticals | ||
| Indication | |||
| Target(s) | |||