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

CAS Registry Number®

87556-66-9

CAS Name

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

Molecular Formula

C22H27ClF2O4S

Molecular Mass

460.96

Cite this Page

S-(Chloromethyl) (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=87556-66-9 (retrieved 2024-11-21) (CAS RN: 87556-66-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H27ClF2O4S/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19(15,2)21(14,25)17(27)9-20(13,3)22(11,29)18(28)30-10-23/h4-5,7,11,13-14,16-17,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1

InChIKey

InChIKey=ANLWAEZHUOEOTI-GQKYHHCASA-N

SMILES

C[C@@]12[C@]([C@]3([C@@](F)([C@]4(C)C([C@@H](F)C3)=CC(=O)C=C4)[C@@H](O)C1)[H])(C[C@@H](C)[C@@]2(C(SCCl)=O)O)[H]

Canonical SMILES

O=C1C=CC2(C(=C1)C(F)CC3C4CC(C)C(O)(C(=O)SCCl)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-(chloromethyl) ester, (6α,11β,16α,17α)-
  • S-(Chloromethyl) (6α,11β,16α,17α)-6,9-difluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carbothioate
  • Cloticasone

CAS INSIGHTSTM
Targeted protein degrader structure, illustration