Products 94088-00-3

CAS 94088-00-3 appears in our catalog under these names: Isoflupredone Disodium Phosphate, Isoflupredone 21-Phosphate Ester Disodium Salt, >95% (HPLC). Offered by: Chemat Brand, TRC. Available pack sizes: on request, 25mg.

Structural formula: {0} (CAS {1})

Disodium;[2-[(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate (CAS 94088-00-3) is a chemical compound with the molecular formula C21H26FNa2O8P and a molecular weight of 502.4 g/mol. IUPAC name: disodium;[2-[(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate. InChIKey: RJCHGSGXNBHMRH-VJVYSMTMSA-L.

Identity
Molecular formulaC21H26FNa2O8P
Molecular weight502.4 g/mol
IUPAC namedisodium;[2-[(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate
InChIKeyRJCHGSGXNBHMRH-VJVYSMTMSA-L
SMILESC[C@]12C[C@@H]([C@]3([C@H]([C@@H]1CC[C@@]2(C(=O)COP(=O)([O-])[O-])O)CCC4=CC(=O)C=C[C@@]43C)F)O.[Na+].[Na+]

Computed by PubChem (NCBI)