S-Methyl (6α,11β,16α,17α)-6,9-difluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carbothioate

CAS Registry Number®

74131-77-4
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CAS Name

S-Methyl (6α,11β,16α,17α)-6,9-difluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carbothioate

Molecular Formula

C22H28F2O4S

Molecular Mass

426.52

Cite this Page

S-Methyl (6α,11β,16α,17α)-6,9-difluoro-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=74131-77-4 (retrieved 2024-03-28) (CAS RN: 74131-77-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H28F2O4S/c1-11-7-13-14-9-16(23)15-8-12(25)5-6-19(15,2)21(14,24)17(26)10-20(13,3)22(11,28)18(27)29-4/h5-6,8,11,13-14,16-17,26,28H,7,9-10H2,1-4H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1

InChIKey

InChIKey=TYVHQHCXWZVELU-GQKYHHCASA-N

SMILES

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

Canonical SMILES

O=C1C=CC2(C(=C1)C(F)CC3C4CC(C)C(O)(C(=O)SC)C4(C)CC(O)C32F)C

Other Names for this Substance

  • Androsta-1,4-diene-17-carbothioic acid, 6,9-difluoro-11,17-dihydroxy-16-methyl-3-oxo-, S-methyl ester, (6α,11β,16α,17α)-
  • S-Methyl (6α,11β,16α,17α)-6,9-difluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carbothioate
  • Ticabesone

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