Cas no 42219-60-3 (6β-Hydroxy-7α-(thiomethyl) Spironolactone)

6β-Hydroxy-7α-(thiomethyl) Spironolactone is a steroidal derivative of spironolactone, characterized by the introduction of a thiomethyl group at the 7α-position and a hydroxyl group at the 6β-position. This structural modification enhances its metabolic stability and potential pharmacological activity, particularly in applications related to mineralocorticoid receptor antagonism. The compound is of interest in medicinal chemistry for its improved binding affinity and selectivity compared to its parent molecule. Its unique substitution pattern may also influence solubility and bioavailability, making it a valuable intermediate for further drug development. Research applications include studying steroid metabolism and exploring novel therapeutic agents for conditions such as hypertension and hormonal disorders.
6β-Hydroxy-7α-(thiomethyl) Spironolactone structure
42219-60-3 structure
Product Name:6β-Hydroxy-7α-(thiomethyl) Spironolactone
CAS No:42219-60-3
MF:C23H32O4S
MW:404.562786102295
CID:825847
PubChem ID:40580543
Update Time:2025-10-31

6β-Hydroxy-7α-(thiomethyl) Spironolactone Chemical and Physical Properties

Names and Identifiers

    • 6β-Hydroxy-7α-(thiomethyl) Spironolactone
    • 6β-Hydroxy-7α-(thiomethyl) Spironolactone Discontinued
    • 6b-Hydroxy-7a-(thiomethyl) Spironolactone
    • 6β-Hydroxy-7α-(thiomethyl) Spironolactone Discontinued
    • (6S,7S,8R,9S,10R,13S,14S,17R)-6-hydroxy-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
    • 6beta-Hydroxy-7alpha-thiomethyl-spironolactone
    • 6.BETA.-HYDROXY-7.ALPHA.-THIOMETHYLSPIROLACTONE
    • 6BETA-HYDROXY-7ALPHA-(METHYLTHIO)SPIROLACTONE
    • 3-(3-OXO-7.ALPHA.-METHYLTHIO-6.BETA.,17.BETA.-DIHYDROXY-4-ANDROSTEN-17.ALPHA.-YL)PROPIONIC ACID .GAMMA. LACTONE
    • 6BETA,17-DIHYDROXY-7ALPHA-METHYLTHIO-3-OXO-17ALPHA-PREGN-4-ENE-21-CARBOXYLIC ACID GAMMA-LACTONE
    • Q27259339
    • 6-Hydroxy-7-thiomethylspirolactone
    • 6.BETA.,17-DIHYDROXY-7.ALPHA.-METHYLTHIO-3-OXO-17.ALPHA.-PREGN-4-ENE-21-CARBOXYLIC ACID .GAMMA.-LACTONE
    • 3-(3-OXO-7ALPHA-METHYLTHIO-6BETA,17BETA-DIHYDROXY-4-ANDROSTEN-17ALPHA-YL)PROPIONIC ACID GAMMA LACTONE
    • 6-OH-7-Sms
    • (7S,8R,9S,10R,13S,14S,17R)-6-HYDROXY-10,13-DIMETHYL-7-METHYLSULFANYL-SPIRO(2,6,7,8,9,11,12,14,15,16-DECAHYDRO-1H-CYCLOPENTA(A)PHENANTHRENE-17,5'-TETRAHYDROFURAN)-2',3-DIONE
    • 4A93WO4Z3G
    • SPIRONOLACTONE METABOLITE M5
    • 42219-60-3
    • Pregn-4-ene-21-carboxylic acid, 6,17-dihydroxy-7-(methylthio)-3-oxo-, gamma-lactone, (6beta,7alpha,17alpha)-
    • (2'R,6S,7S,8R,9S,10R,13S,14S)-6-hydroxy-10,13-dimethyl-7-(methylthio)-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2H,4'H)-dione
    • CHEMBL3638306
    • 6.BETA.-HYDROXY-7.ALPHA.-(METHYLTHIO)SPIROLACTONE
    • 6.BETA.-HYDROXY-7.ALPHA.-(THIOMETHYL)SPIROLACTONE
    • 6?-Hydroxy-7?-(thiomethyl) Spironolactone
    • 6 beta-hydroxy-7 alpha-thiomethylspirolactone
    • 6beta-Hydroxy-7alpha-thiomethylspirolactone
    • UNII-4A93WO4Z3G
    • Inchi： 1S/C23H32O4S/c1-21-8-4-13(24)12-16(21)19(26)20(28-3)18-14(21)5-9-22(2)15(18)6-10-23(22)11-7-17(25)27-23/h12,14-15,18-20,26H,4-11H2,1-3H3/t14-,15-,18+,19-,20-,21+,22-,23+/m0/s1
    • InChI Key： NWLBSWATTSRBOV-DFSNYPBXSA-N
    • SMILES： S(C)[C@@H]1[C@H](C2=CC(CC[C@]2(C)[C@H]2CC[C@]3(C)[C@]4(CCC(=O)O4)CC[C@H]3[C@@H]21)=O)O

Computed Properties

  • Exact Mass: 404.20200
  • Monoisotopic Mass: 404.20213067g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 1
  • Complexity: 762
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2
  • Topological Polar Surface Area: 88.9?2

Experimental Properties

  • PSA: 88.90000
  • LogP: 3.90640

6β-Hydroxy-7α-(thiomethyl) Spironolactone Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHENG KE LU SI SHENG WU JI SHU
sc-210569-2mg
6β-Hydroxy-7α-(thiomethyl) spironolactone,
 42219-60-3
2mg
 ￥3685.00 2023-09-05
SHENG KE LU SI SHENG WU JI SHU
sc-210569-2 mg
6β-Hydroxy-7α-(thiomethyl) spironolactone,
 42219-60-3
2mg
 ￥3,685.00 2023-07-11

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