Analyte Name

Dexamethasone 21-Phosphate dimer 8,8'-dimethyl-d6 sodium salt

Molecular Formula

C44 D6 H50 F2 O12 P . Na

Molecular Weight

874.90

Accurate Mass

874.3752

SMILES

[Na+].[2H]C([2H])([2H])[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)([O-])OCC(=O)[C@@]5(O)[C@@H](C[C@H]6[C@@H]7CCC8=CC(=O)C=C[C@]8(C)[C@@]7(F)[C@@H](O)C[C@]56C)C([2H])([2H])[2H]

InChI

InChI=1S/C44H57F2O12P.Na/c1-23-15-31-29-9-7-25-17-27(47)11-13-37(25,3)41(29,45)33(49)19-39(31,5)43(23,53)35(51)21-57-59(55,56)58-22-36(52)44(54)24(2)16-32-30-10-8-26-18-28(48)12-14-38(26,4)42(30,46)34(50)20-40(32,44)6;/h11-14,17-18,23-24,29-34,49-50,53-54H,7-10,15-16,19-22H2,1-6H3,(H,55,56);/q;+1/p-1/t23-,24-,29+,30+,31+,32+,33+,34+,37+,38+,39+,40+,41+,42+,43+,44+;/m1./s1/i1D3,2D3;

IUPAC

sodium;bis[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-16-(trideuteriomethyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] phosphate

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat