S-Methyl (11β,16β,17α)-9-fluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carbothioate

CAS Registry Number®

87116-72-1

CAS Name

S-Methyl (11β,16β,17α)-9-fluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carbothioate

Molecular Formula

C22H29FO4S

Molecular Mass

408.53

Cite this Page

S-Methyl (11β,16β,17α)-9-fluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carbothioate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=87116-72-1 (retrieved 2024-11-21) (CAS RN: 87116-72-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H29FO4S/c1-12-9-16-15-6-5-13-10-14(24)7-8-19(13,2)21(15,23)17(25)11-20(16,3)22(12,27)18(26)28-4/h7-8,10,12,15-17,25,27H,5-6,9,11H2,1-4H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1

InChIKey

InChIKey=LNGNTCFORRWFSF-DVTGEIKXSA-N

SMILES

F[C@@]12[C@]([C@]3([C@](C)(C[C@@H]1O)[C@](C(SC)=O)(O)[C@@H](C)C3)[H])(CCC=4[C@]2(C)C=CC(=O)C4)[H]

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C4CC(C)C(O)(C(=O)SC)C4(C)CC(O)C32F)C

Other Names for this Substance

  • Androsta-1,4-diene-17-carbothioic acid, 9-fluoro-11,17-dihydroxy-16-methyl-3-oxo-, S-methyl ester, (11β,16β,17α)-
  • S-Methyl (11β,16β,17α)-9-fluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carbothioate
  • Timobesone

CAS INSIGHTSTM
Targeted protein degrader structure, illustration