S-Demethyl (E)-S-[4-(4-Fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-ethenyl Rosuvastatin Sodium Salt

Analyte Name

((E,3R,5S)-7-(4-(4-fluorophenyl)-2-(((E)-2-(4-(4-fluorophenyl)-2-(methyl(methylsulfonyl)amino)-6-propan-2-ylpyrimidin-5-yl)ethenyl)sulfonyl-methylamino)-6-propan-2-ylpyrimidin-5-yl)-3,5-dihydroxyhept-6-enoyl)oxysodium

Molecular Formula

C38 H43 F2 N6 Na O8 S2

Molecular Weight

836.9

Accurate Mass

836.245

SMILES

CC(C)c1nc(nc(c1\C=C\[C@@H](O)C[C@@H](O)CC(=O)O[Na])c2ccc(F)cc2)N(C)S(=O)(=O)\C=C\c3c(nc(nc3c4ccc(F)cc4)N(C)S(=O)(=O)C)C(C)C

InChI

InChI=1S/C38H44F2N6O8S2.Na/c1-22(2)33-30(17-16-28(47)20-29(48)21-32(49)50)35(24-8-12-26(39)13-9-24)44-38(42-33)46(6)56(53,54)19-18-31-34(23(3)4)41-37(45(5)55(7,51)52)43-36(31)25-10-14-27(40)15-11-25;/h8-19,22-23,28-29,47-48H,20-21H2,1-7H3,(H,49,50);/q;+1/p-1/b17-16+,19-18+;/t28-,29-;/m1./s1

IUPAC

[(E,3R,5S)-7-[4-(4-fluorophenyl)-2-[[(E)-2-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]ethenyl]sulfonyl-methylamino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoyl]oxysodium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)