Rosuvastatin Calcium Salt

Analyte Name

Rosuvastatin Calcium

CAS Number

147098-20-2

Molecular Formula

2 C22 H27 F N3 O6 S . Ca

Molecular Weight

1001.14

Accurate Mass

1000.2835

SMILES

[Ca+2].CC(C)c1nc(nc(c1\C=C\[C@@H](O)C[C@@H](O)CC(=O)[O-])c2ccc(F)cc2)N(C)S(=O)(=O)C.CC(C)c3nc(nc(c3\C=C\[C@@H](O)C[C@@H](O)CC(=O)[O-])c4ccc(F)cc4)N(C)S(=O)(=O)C

InChI

/t2*16-,17-, InChI=1S/2C22H28FN3O6S.Ca/c2*1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32, /m11./s1, +2/p-2/b2*10-9+, /h2*5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30), , /q

IUPAC

calcium;(E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate

Alternate CAS Number

Free acid: 287714-41-4

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Rosuvastatin Calcium

Purity

>95% (HPLC)