Synonym
38753-77-4; 7alpha-Thiomethylspironolactone; 7-Thiomethylspirolactone; 7a-Thiomethylspironolactone; 0YU66JY4WL
IUPAC/Chemical Name
(7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-7-(methylthio)-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
FWRDLPQBEOKIRE-RJKHXGPOSA-N
InChi Code
InChI=1S/C23H32O3S/c1-21-8-4-15(24)12-14(21)13-18(27-3)20-16(21)5-9-22(2)17(20)6-10-23(22)11-7-19(25)26-23/h12,16-18,20H,4-11,13H2,1-3H3/t16-,17-,18+,20+,21-,22-,23+/m0/s1
SMILES Code
[H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]4([H])[C@@]2([H])[C@@H](CC5=CC(=O)CC[C@]45C)SC
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
Preparing Stock Solutions
The following data is based on the
product
molecular weight
388.57
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.
| 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 |
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29803817.
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Travers JB. Spironolactone Depletes the XPB Protein and Inhibits DNA Damage
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31751144.
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Prevents Glucocorticoid-Induced Delayed Corneal Wound Healing in Rabbits. Mol
Pharm. 2018 Mar 5;15(3):1192-1202. doi: 10.1021/acs.molpharmaceut.7b01028. Epub
2018 Feb 15. PMID: 29397733.
5: de Denus S, Leclair G, Dubé MP, St-Jean I, Zada YF, Oussaïd E, Jutras M,
Givertz MM, Mentz RJ, Tang WHW, Ferreira JP, Rouleau J, Butler J, Kalogeropoulos
AP. Spironolactone metabolite concentrations in decompensated heart failure:
insights from the ATHENA-HF trial. Eur J Heart Fail. 2020 Aug;22(8):1451-1461.
doi: 10.1002/ejhf.1802. Epub 2020 Apr 1. PMID: 32237012; PMCID: PMC7958586.
6: Dahmana N, Gabriel D, Gurny R, Kalia YN. Development and validation of a fast
and sensitive UHPLC-ESI-MS method for the simultaneous quantification of
spironolactone and its metabolites in ocular tissues. Biomed Chromatogr. 2018
Oct;32(10):e4287. doi: 10.1002/bmc.4287. Epub 2018 Jun 19. PMID: 29767448.
