Products 52618-94-7

CAS 52618-94-7 appears in our catalog under these names: Betamethasone Impurity 47, 6alpha-Bromobetamethasone 21-Acetate. Offered by: Chemat Brand, TRC. Available pack sizes: on request, 100mg.

Betamethasone Impurity 47
Chemat Brand
  • size: on request
  • Variants: 1
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6alpha-Bromobetamethasone 21-Acetate
TRC
  • size: 100mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

[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 (CAS 52618-94-7) is a chemical compound with the molecular formula C24H30BrFO6 and a molecular weight of 513.4 g/mol. IUPAC name: [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. InChIKey: WCBHORKWCUQBTR-RYRQIHONSA-N.

Identity
Molecular formulaC24H30BrFO6
Molecular weight513.4 g/mol
IUPAC name[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
InChIKeyWCBHORKWCUQBTR-RYRQIHONSA-N
SMILESC[C@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)O)F)C)Br

Computed by PubChem (NCBI)

Synonyms: 6?-Bromobetamethasone 21-Acetate, 6alpha-Bromobetamethasone 21-Acetate, 6|A-Bromobetamethasone 21-Acetate
Isomers (same molecular formula)
[2-[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-9-bromo-6-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 C24H30BrFO6