6α-Bromobetamethasone 21-Acetate

CAS: 52618-94-7

Ref. TR-B846270

Product Information

• Name: 6α-Bromobetamethasone 21-Acetate
• Synonyms: [2-[(6S,8S,9R,10S,11S,13S,14S,16S,17R)-6-bromo-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

Description

Applications 6α-Bromobetamethasone 21-Acetate is an intermediate used in the synthesis of (6α,11β,16β)-6-Bromo-9-fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione (B847168), which is a derivative of Betamethasone (B327000), a glucocorticoid used as an anti-inflammatory agent.
References Ferrante, M.G., et al.: Anal. Profiles Drug Subs., 6, 43 (1977), Li, A., et al.: Chem. Biol. Interact., 142, 7 (2002), Cruz-Monteagudo, M., et al.: Eur. J. Med. Chem., 40, 1030 (2005), Rothfuss, A., et al.: Chem. Res. Toxicol., 19, 1313 (2006),

• Brand: TRC

Chemical properties

• Molecular weight: 513.394
• Formula: C₂₄H₃₀BrFO₆
• Color/Form: Neat
• InChI: InChI=1S/C24H30BrFO6/c1-12-7-15-16-9-18(25)17-8-14(28)5-6-21(17,3)23(16,26)19(29)10-22(15,4)24(12,31)20(30)11-32-13(2)27/h5-6,8,12,15-16,18-19,29,31H,7,9-11H2,1-4H3/t12-,15-,16-,18-,19-,21-,22-,23-,24-/m0/s1
• InChI key: InChIKey=WCBHORKWCUQBTR-RYRQIHONSA-N
• SMILES: CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3C[C@H](Br)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C