Analyte Name

(3S,5S)-Rosuvastatin Calcium Salt

CAS Number

2185805-14-3

Molecular Formula

C22H27FN3O6S.0.5Ca

Molecular Weight

500.57

Accurate Mass

500.14

SMILES

[O-]C(C[C@@H](O)C[C@H](O)/C=C/C1=C(C(C)C)N=C(N(C)S(C)(=O)=O)N=C1C2=CC=C(C=C2)F)=O.[O-]C(C[C@@H](O)C[C@H](O)/C=C/C3=C(C(C)C)N=C(N(C)S(C)(=O)=O)N=C3C4=CC=C(C=C4)F)=O.[Ca+2]

InChI

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;/h2*5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30);/q;;+2/p-2/b2*10-9+;/t2*16-,17+;/m11./s1

IUPAC

calcium (3S,5S,E)-7-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat