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CAS 1436872-65-9

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Pregna-1,4-diene-3,20-dione, 16,17-[butylidenebis(oxy)]-11-hydroxy-21-(sulfooxy)-, (11β,16α)-, compd. with N,N-diethylethanamine (1:1)

Description:
Pregna-1,4-diene-3,20-dione, 16,17-[butylidenebis(oxy)]-11-hydroxy-21-(sulfooxy)-, (11β,16α)-, compd. with N,N-diethylethanamine (1:1), identified by its CAS number 1436872-65-9, is a synthetic steroid compound characterized by its complex structure, which includes a steroid backbone with multiple functional groups. This compound features a sulfooxy group, which enhances its solubility and reactivity, and a butylidenebis(oxy) moiety that may influence its biological activity. The presence of the N,N-diethylethanamine indicates that it forms a salt or complex, potentially affecting its pharmacokinetics and pharmacodynamics. Such compounds are often studied for their potential therapeutic applications, particularly in the fields of endocrinology and pharmacology, due to their structural similarity to natural steroid hormones. The specific stereochemistry, denoted by the (11β,16α)- notation, suggests that it may exhibit unique biological properties, which could be relevant in drug development or research into hormonal regulation. Further studies would be necessary to elucidate its full biological profile and potential applications.
Formula:C25H34O9S·C6H15N
InChI:InChI=1S/C25H34O9S.C6H15N/c1-4-5-21-33-20-11-17-16-7-6-14-10-15(26)8-9-23(14,2)22(16)18(27)12-24(17,3)25(20,34-21)19(28)13-32-35(29,30)31;1-4-7(5-2)6-3/h8-10,16-18,20-22,27H,4-7,11-13H2,1-3H3,(H,29,30,31);4-6H2,1-3H3/t16-,17-,18-,20+,21?,22+,23-,24-,25+;/m0./s1
InChI key:InChIKey=XFHVILJDWDHJDM-UQGKMEHISA-N
SMILES:C(COS(=O)(=O)O)(=O)[C@]12[C@]3(C)[C@@](C[C@]1(OC(CCC)O2)[H])([C@]4([C@]([C@@H](O)C3)([C@]5(C)C(CC4)=CC(=O)C=C5)[H])[H])[H].N(CC)(CC)CC
Synonyms:
  • Budesonide 21-sulfate triethyl ammonium salt
  • Pregna-1,4-diene-3,20-dione, 16,17-[butylidenebis(oxy)]-11-hydroxy-21-(sulfooxy)-, (11β,16α)-, compd. with N,N-diethylethanamine (1:1)
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