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Chemical structure of 7α-Thiomethylspironolactone

GC49298

7α-Thiomethylspironolactone

Also known as (7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-7-methylsulfanylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione

A major metabolite of spironolactone

ChemicalCAS38753-77-4MW388.6FormulaC23H32O3S
CAS number
38753-77-4
Molecular weight
388.6
Formula
C23H32O3S
Solubility
Chloroform： slightly soluble,Ethyl Acetate： slightly soluble
InChIKey
FWRDLPQBEOKIRE-RJKHXGPOSA-N
Catalogue number
GC49298
Brand
GLPBIO
Computed properties PubChem CID 162325 · XLogP 3.2 · TPSA 68.7 Ų · H-bond donors 0
XLogP
3.2
TPSA
68.7 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
27

SMILES C[C@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C)SC

Computed descriptors from PubChem (CID 162325), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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