CAS 38753-76-3

Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7-mercapto-3-oxo-, γ-lactone, (7α,17α)-

Description:

Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7-mercapto-3-oxo-, γ-lactone, (7α,17α)-, commonly referred to by its CAS number 38753-76-3, is a synthetic steroid compound characterized by its complex structure, which includes a pregnane backbone. This compound features a carboxylic acid group, a hydroxyl group, and a mercapto group, contributing to its reactivity and potential biological activity. The presence of the γ-lactone indicates a cyclic ester formation, which can influence its pharmacokinetics and interaction with biological systems. The stereochemistry, denoted by the (7α,17α) configuration, suggests specific spatial arrangements of atoms that can affect the compound's binding affinity to steroid receptors. Such compounds are often studied for their potential therapeutic applications, particularly in the fields of endocrinology and pharmacology, due to their structural similarity to natural steroid hormones. Overall, this compound exemplifies the intricate relationship between chemical structure and biological function in steroid chemistry.

Formula: C₂₂H₃₀O₃S

InChI: InChI=1S/C22H30O3S/c1-20-7-3-14(23)11-13(20)12-17(26)19-15(20)4-8-21(2)16(19)5-9-22(21)10-6-18(24)25-22/h11,15-17,19,26H,3-10,12H2,1-2H3/t15-,16-,17+,19+,20-,21-,22+/m0/s1

InChI key: InChIKey=NZCDWYJROUPYPT-NYTLBARGSA-N

SMILES: C[C@@]12[C@]3(CC[C@]1([C@]4([C@](CC2)([C@]5(C)C(C[C@H]4S)=CC(=O)CC5)[H])[H])[H])OC(=O)CC3

Synonyms:

• Deacetylspironolactone
• 3-(3-Oxo-7α-thio-17β-hydroxy-4-androsten-17α-yl)propionic acid γ-lactone
• Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7-mercapto-3-oxo-, γ-lactone, (7α,17α)-
• 7α-Thiospironolactone
• SC 24813

Spironolactone Impurity 4 (7-α-Thio Spironolactone)

CAS: 38753-76-3

Formula: C₂₂H₃₀O₃S

Color and Shape: Off-White To Pale Yellow Solid

Molecular weight: 374.54

Ref: 4Z-S-0820

Desacetylspironolactone (7α-Thiospironolactone)

Controlled Product

CAS: 38753-76-3

Formula: C₂₂H₃₀O₃S

Color and Shape: Neat

Molecular weight: 374.54

Ref: 86-MM0197.04

7α-Thiospironolactone

CAS: 38753-76-3

7α-Thio Spironolactone is a Spironolactone (sc-204294) metabolite.

Formula: C₂₂H₃₀O₃S

Color and Shape: Solid

Molecular weight: 374.54

Ref: TM-T29480

S-deacetyl spironolactone

CAS: 38753-76-3

Applications A metabolite of Spironolactone.
References Morris, R., et al.: Eur. J. Clin. Pharmacol., 34, 233 (1988), Dasgupta, A., et al.: Am. J. Clin. Pathol., 111, 406 (1999)

Formula: C₂₂H₃₀O₃S

Color and Shape: Neat

Molecular weight: 374.54

Ref: TR-T375000

7α-Thio Spironolactone

CAS: 38753-76-3

Formula: C₂₂H₃₀O₃S

Molecular weight: 374.54

Ref: ST-EA-CP-S10016