7alpha-Thiospironolactone
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MedKoo CAT#: 581571

CAS#: 38753-76-3

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


Chemical Structure

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7alpha-Thiospironolactone
CAS# 38753-76-3

Theoretical Analysis

MedKoo Cat#: 581571
Name: 7alpha-Thiospironolactone
CAS#: 38753-76-3
Chemical Formula: C22H30O3S
Exact Mass: 374.19
Molecular Weight: 374.539
Elemental Analysis: C, 70.55; H, 8.07; O, 12.81; S, 8.56

Price and Availability

Size Price Availability Quantity
1mg USD 285 2 Weeks
5mg USD 700 2 Weeks
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Synonym: 7alpha-Thiospironolactone; Deacetylspironolactone;

IUPAC/Chemical Name: (7R,8R,9S,10S,13R,14S,17R)-7-mercapto-10,13-dimethyl-1,3',4',6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-5'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2H)-dione

InChi Key: NZCDWYJROUPYPT-BIPXHUIRSA-N

InChi Code: 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

SMILES Code: C1CC(O[C@@]21CC[C@H]1[C@H]3[C@H](CC[C@@]21C)[C@@]1(CCC(C=C1C[C@H]3S)=O)C)=O

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.03.00

More Info:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 374.54 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: B S, G S, V KR, S G. Microbial synthesis of mammalian metabolites of spironolactone by thermophilic fungus Thermomyces lanuginosus. Steroids. 2018 Aug;136:1-7. doi: 10.1016/j.steroids.2018.05.011. Epub 2018 May 25. PubMed PMID: 29803817.