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7α-Thiomethyl Spironolactone-[d7]

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General Information
Catalog: BLP-007886
Molecular Formula: C23H27D7O3S
Molecular Weight: 395.59

Chemical Structure

Description	7α-Thiomethyl Spironolactone-[d7] is the labelled analogue of 7α-Thiomethyl Spironolactone, which is a metabolite of Spironolactone.
Synonyms	7α-Thiomethyl Spironolactone-d7; 17α-Hydroxy-7α-(methylthio)-3-oxo-pregn-4-ene-21-carboxylic Acid γ-Lactone-d7; 7α-Thiomethylspirolactone-d7; 7α-Thiomethyl-SL-d7
IUPAC Name	(7R,8R,9S,10R,13S,14S,17R)-2,2,3',3',4,6,6-heptadeuterio-10,13-dimethyl-7-methylsulfanylspiro[7,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
Related CAS	38753-77-4 (unlabelled)
Canonical SMILES	CC12CCC(=O)C=C1CC(C3C2CCC4(C3CCC45CCC(=O)O5)C)SC
InChI	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/i4D2,7D2,12D,13D2
InChI Key	FWRDLPQBEOKIRE-JHULEAHOSA-N
Melting Point	>175°C (dec.)
Purity	≥95%
Solubility	Slightly soluble in Chloroform (Sonicated); Very slightly soluble in Methanol
Appearance	Off-white to Pale Yellow Solid
Storage	Store at 2-8°C