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Spironolactone (Standard)

CAT: 0804-HY-B0561R-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0561R-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Spironolactone (Standard) is the analytical standard of Spironolactone. This product is intended for research and analytical applications. Spironolactone (SC9420) is an orally active aldosterone mineralocorticoid receptor antagonist with an IC50 of 24 nM. Spironolactone is also a potent antagonist of androgen receptor with an IC50 of 77 nM. Spironolactone promotes autophagy in podocytes[1][2][3].
CAS Number
52-01-7
Product Name Alternative
SC9420 (Standard)
UNSPSC
12352005
Hazard Statement
H351-H360-H373
Target
Androgen Receptor; Autophagy; Mineralocorticoid Receptor; Reference Standards
Type
Reference Standards
Related Pathways
Autophagy; Metabolic Enzyme/Protease; Others; Vitamin D Related/Nuclear Receptor
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease; Cancer
Assay Protocol
https://www.medchemexpress.com/spironolactone-standard.html
Purity
98.55
Smiles
C[C@@]12[C@](OC3=O)(CC3)CC[C@@]1([H])[C@@]([C@@H](CC4=CC5=O)SC(C)=O)([H])[C@]([C@]4(CC5)C)([H])CC2
Molecular Formula
C24H32O4S
Molecular Weight
416.57
Precautions
P260-P280-P405-P501
Shipping Conditions
Room Temperature
Storage Conditions
4°C, sealed storage, away from light and moisture
Scientific Category
Reference Standards
Clinical Information
Launched

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

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