6α,9α-Difluoro-11β,17α-dihydroxy-16α-methyl-3-oxoandrosta-1,4-diene-17β-carbothioic acid

CAS Registry Number®

80473-92-3

CAS Name

6α,9α-Difluoro-11β,17α-dihydroxy-16α-methyl-3-oxoandrosta-1,4-diene-17β-carbothioic acid

Molecular Formula

C21H26F2O4S

Molecular Mass

412.49

Cite this Page

6α,9α-Difluoro-11β,17α-dihydroxy-16α-methyl-3-oxoandrosta-1,4-diene-17β-carbothioic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=80473-92-3 (retrieved 2024-11-22) (CAS RN: 80473-92-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    230-231 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H26F2O4S/c1-10-6-12-13-8-15(22)14-7-11(24)4-5-18(14,2)20(13,23)16(25)9-19(12,3)21(10,27)17(26)28/h4-5,7,10,12-13,15-16,25,27H,6,8-9H2,1-3H3,(H,26,28)/t10-,12+,13+,15+,16+,18+,19+,20+,21+/m1/s1

InChIKey

InChIKey=GLAJUXBOZSWZMM-IDIDPBNYSA-N

SMILES

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

Canonical SMILES

O=C1C=CC2(C(=C1)C(F)CC3C4CC(C)C(O)(C(=O)S)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-, (6α,11β,16α,17α)-
  • (6α,11β,16α,17α)-6,9-Difluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carbothioic acid
  • 6α,9α-Difluoro-11β,17α-dihydroxy-16α-methyl-3-oxoandrosta-1,4-diene-17β-carbothioic acid

CAS INSIGHTSTM
Targeted protein degrader structure, illustration