(3RS,5RS,6E)-7-[4-(4-Fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic Acid Calcium Salt

Analyte Name

(3RS,5RS,6E)-7-[4-(4-Fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic Acid Calcium Salt

Molecular Formula

2 C22 H27 F N3 O6 S . Ca

Molecular Weight

1001.1374

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

/h2*5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30), /q, , /t2*16-,17+, /m00./s1, 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, +2/p-2/b2*10-9+

IUPAC

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

Storage Temperature

+5°C

Shipping Temperature

Room Temperature

Country of Origin

GERMANY

Product Format

Neat

Impurity Type

By-Product

API Family

Rosuvastatin Calcium