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CAS 80474-71-1

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Androsta-1,4-diene-17-carbothioic acid, 17-(acetyloxy)-6,9-difluoro-11-hydroxy-16-methyl-3-oxo-, S-(iodomethyl) ester, (6α,11β,16α,17α)-

Description:
Androsta-1,4-diene-17-carbothioic acid, 17-(acetyloxy)-6,9-difluoro-11-hydroxy-16-methyl-3-oxo-, S-(iodomethyl) ester, with the CAS number 80474-71-1, is a synthetic steroid derivative characterized by its complex molecular structure, which includes multiple functional groups such as a carbothioic acid, acetyloxy, and difluoro substitutions. This compound features a steroid backbone typical of androgens, with modifications that enhance its biological activity and specificity. The presence of fluorine atoms often contributes to increased metabolic stability and altered pharmacokinetics. Additionally, the compound's esterification with iodomethyl suggests potential reactivity and applications in medicinal chemistry, particularly in the development of targeted therapies. Its stereochemistry, indicated by the specific configuration at various carbon centers, plays a crucial role in determining its biological interactions and efficacy. Overall, this compound exemplifies the intricate design of synthetic steroids aimed at optimizing therapeutic effects while minimizing side effects.
Formula:C24H29F2IO5S
InChI:InChI=1S/C24H29F2IO5S/c1-12-7-15-16-9-18(25)17-8-14(29)5-6-21(17,3)23(16,26)19(30)10-22(15,4)24(12,32-13(2)28)20(31)33-11-27/h5-6,8,12,15-16,18-19,30H,7,9-11H2,1-4H3/t12-,15+,16+,18+,19+,21+,22+,23+,24+/m1/s1
InChI key:InChIKey=OFIMGKREFBWQMK-OSNGSNEUSA-N
SMILES:C[C@@]12[C@](C(SCI)=O)(OC(C)=O)[C@H](C)C[C@]1([C@]3([C@](F)([C@@H](O)C2)[C@]4(C)C([C@@H](F)C3)=CC(=O)C=C4)[H])[H]
Synonyms:
  • Androsta-1,4-diene-17-carbothioic acid, 17-(acetyloxy)-6,9-difluoro-11-hydroxy-16-methyl-3-oxo-, S-(iodomethyl) ester, (6α,11β,16α,17α)-
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