Analyte Name

Defluoro Pitavastatin Calcium Salt

CAS Number

1258947-30-6

Molecular Formula

C50H48CaN2O8

Molecular Weight

845.02

Accurate Mass

844.3

SMILES

O[C@@H](C[C@@H](O)CC([O-])=O)/C=C/C1=C(C2=CC=CC=C2)C3=CC=CC=C3N=C1C4CC4.O[C@@H](C[C@@H](O)CC([O-])=O)/C=C/C5=C(C6=CC=CC=C6)C7=CC=CC=C7N=C5C8CC8.[Ca+2]

InChI

InChI=1S/2C25H25NO4.Ca/c2*27-18(14-19(28)15-23(29)30)12-13-21-24(16-6-2-1-3-7-16)20-8-4-5-9-22(20)26-25(21)17-10-11-17;/h2*1-9,12-13,17-19,27-28H,10-11,14-15H2,(H,29,30);/q;;+2/p-2/b2*13-12+;/t2*18-,19-;/m11./s1

IUPAC

calcium (3R,5S,E)-7-(2-cyclopropyl-4-phenylquinolin-3-yl)-3,5-dihydroxyhept-6-enoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat