Dexamethasone oxetanone | CAS 4089-36-5 | AnyMole

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HIT214434031

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HIT214434031

HIT ID:HIT214434031
Cas No:4089-36-5
常用名:Dexamethasone oxetanone
IUPAC:(1R,2R,3aS,3bS,9aS,9bR,10S,11aS)-9b-fluoro-10-hydroxy-2,9a,11a-trimethyl-2,3,3a,3b,4,5,7,9a,9b,10,11,11a-dodecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxetane]-3',7-dione
IUPAC:(1R,2R,3aS,3bS,9aS,9bR,10S,11aS)-9b-fluoro-10-hydroxy-2,9a,11a-trimethyl-2,3,3a,3b,4,5,7,9a,9b,10,11,11a-dodecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxetane]-3',7-dione
InChI key:PLIOZIVVVLFDAA-CXSFZGCWSA-N

分子式:C22H27FO4
分子量:374.452
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12C[C@@H](C)[C@@]3(OCC3=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
SMILES:[H][C@@]12C[C@@H](C)[C@@]3(OCC3=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C

Dexamethasone oxetanone (Dex-Ox) is a glucocorticoid-selective derivative of Dexamethasone (Dex) compound. It acts as an antiglucocorticoid and an antiprogestin, demonstrating notable agonist activity with both PR A and B isoforms [1] [2].

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