Analyte Name

Desfluoro Rosuvastatin Calcium Salt

Molecular Formula

(C22H29N3O6S)2 • Ca

Molecular Weight

967.17

Accurate Mass

966.32

SMILES

O=S(N(C)C(N=C1C(C)C)=NC(C2=CC=CC=C2)=C1/C=C/[C@@H](O)C[C@@H](O)CC(O)=O)(C)=O.O=S(N(C)C(N=C3C(C)C)=NC(C4=CC=CC=C4)=C3/C=C\[C@@H](O)C[C@@H](O)CC(O)=O)(C)=O.[Ca+2]

InChI

InChI=1S/2C22H29N3O6S.Ca/c2*1-14(2)20-18(11-10-16(26)12-17(27)13-19(28)29)21(15-8-6-5-7-9-15)24-22(23-20)25(3)32(4,30)31;/h2*5-11,14,16-17,26-27H,12-13H2,1-4H3,(H,28,29);/q;;+2/b11-10+;11-10-;/t2*16-,17-;/m11./s1

IUPAC

(3R,5S,E)-3,5-Dihydroxy-7-(4-isopropyl-2-(N-methylmethylsulfonamido)-6-phenylpyrimidin-5-yl)hept-6-enoic acid, Calcium Salt

Country of Origin

CANADA

Product Format

Neat