S-(Fluoromethyl) (6α,11β,16α,17α)-6,9-difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy-2,2,3,3,3-d5)androsta-1,4-diene-17-carbothioate
CAS Registry Number®
1093258-28-6
CAS Name
S-(Fluoromethyl) (6α,11β,16α,17α)-6,9-difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy-2,2,3,3,3-d5)androsta-1,4-diene-17-carbothioateMolecular Formula
C25H26D5F3O5SCite this Page
S-(Fluoromethyl) (6α,11β,16α,17α)-6,9-difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy-2,2,3,3,3-d5)androsta-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=1093258-28-6 (retrieved ) (CAS RN: 1093258-28-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1/i1D3,5D2
InChIKey
InChIKey=WMWTYOKRWGGJOA-AMTWIDTLSA-N
SMILES
O(C(C(C([2H])([2H])[2H])([2H])[2H])=O)[C@@]1(C(SCF)=O)[C@]2(C)[C@@](C[C@H]1C)([C@]3([C@](F)([C@@H](O)C2)[C@]4(C)C([C@@H](F)C3)=CC(=O)C=C4)[H])[H]
Canonical SMILES
O=C1C=CC2(C(=C1)C(F)CC3C4CC(C)C(OC(=O)CC)(C(=O)SCF)C4(C)CC(O)C32F)C
Other Names for this Substance
- Androsta-1,4-diene-17-carbothioic acid, 6,9-difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy-2,2,3,3,3-d5)-, S-(fluoromethyl) ester, (6α,11β,16α,17α)-
- S-(Fluoromethyl) (6α,11β,16α,17α)-6,9-difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy-2,2,3,3,3-d5)androsta-1,4-diene-17-carbothioate
