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Spironolactone

CAT: 0931-T0476-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T0476-02Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
52-01-7
Target
Glucocorticoid Receptor, Autophagy, Androgen Receptor, Calcium Channel
Related Pathways
Membrane transporter/Ion channel, Endocrinology/Hormones, Metabolism, Autophagy
Purity
0.9987
Bioactivity
Spironolactone (SC9420) is an Aldosterone Antagonist. The mechanism of action of spironolactone is as an Aldosterone Antagonist.
Smiles
C[C@@]12[C@]3(CC[C@]1([C@]4([C@](CC2)([C@]5(C)C(C[C@H]4SC(C)=O)=CC(=O)CC5)[H])[H])[H])OC(=O)CC3
Molecular Formula
C24H32O4S
Molecular Weight
416.57
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Spironolactone

Spironolactone can cause cancer according to state or federal government labeling requirements.

CAS Number52-01-7
PubChem CID5833
IUPAC NameS-[(7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-yl] ethanethioate
Molecular FormulaC24H32O4S
Molecular Weight416.6
XLogP2.9
Topological Polar Surface Area85.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count29
Formal Charge0
Complexity818
SMILES
CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C
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
Chemical Structure
2D Structure
2D structure of Spironolactone
CAS: 52-01-7
CID: 5833
Formula: C24H32O4S
MW: 416.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.6
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass416.20213067
Monoisotopic Mass416.20213067
Topological Polar Surface Area85.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity818
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
318754Spironolactone

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