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CAS 55812-90-3

:

Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9-fluoro-11,17-dihydroxy-16-methyl-, hydrate (1:1), (11β,16α)-

Description:
Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9-fluoro-11,17-dihydroxy-16-methyl-, hydrate (1:1), commonly known as a synthetic glucocorticoid, is characterized by its complex steroid structure, which includes a fluorine atom and multiple hydroxyl groups that contribute to its biological activity. This compound is typically used for its anti-inflammatory and immunosuppressive properties, making it valuable in treating various conditions such as allergies, asthma, and autoimmune disorders. The presence of the acetyloxy group enhances its solubility and bioavailability, while the specific stereochemistry at the 11β and 16α positions is crucial for its interaction with glucocorticoid receptors. As a hydrate, it forms a stable crystalline structure that can influence its pharmacokinetics. Overall, this compound exemplifies the modifications made to natural steroid frameworks to enhance therapeutic efficacy and reduce side effects. Its CAS number, 55812-90-3, is used for precise identification in chemical databases and regulatory contexts.
Formula:C24H31FO6·H2O
InChI:InChI=1S/C24H31FO6.H2O/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26;/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3;1H2/t13-,17+,18+,19+,21+,22+,23+,24+;/m1./s1
InChI key:InChIKey=DPHFJXVKASDMBW-RQRKFSSASA-N
SMILES:C[C@@]12[C@]([C@]3([C@@](F)([C@]4(C)C(CC3)=CC(=O)C=C4)[C@@H](O)C1)[H])(C[C@@H](C)[C@@]2(C(COC(C)=O)=O)O)[H].O
Synonyms:
  • Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9-fluoro-11,17-dihydroxy-16-methyl-, hydrate (1:1), (11β,16α)-
  • Dexamethasone acetate monohydrate
  • Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9-fluoro-11,17-dihydroxy-16-methyl-, monohydrate, (11β,16α)-
  • 9α-Fluoro-16α-methyl-11β,17,21-trihydroxy-1,4-pregnadiene-3,20-dione 21-acetate monohydrate
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