Analyte Name

Pitavastatin Lactone Pitavastatin

CAS Number

1421633-11-5

Molecular Formula

C50H44F2N2O6

Molecular Weight

806.89

Accurate Mass

806.32

SMILES

FC(C=C1)=CC=C1C2=C(/C=C/[C@@H]3C[C@@H](OC(C[C@H](O)C[C@H](O)/C=C/C4=C(C5=CC=C(F)C=C5)C6=CC=CC=C6N=C4C7CC7)=O)CC(O3)=O)C(C8CC8)=NC9=CC=CC=C92

InChI

InChI=1S/C50H44F2N2O6/c51-33-17-13-29(14-18-33)47-39-5-1-3-7-43(39)53-49(31-9-10-31)41(47)23-21-35(55)25-36(56)26-45(57)60-38-27-37(59-46(58)28-38)22-24-42-48(30-15-19-34(52)20-16-30)40-6-2-4-8-44(40)54-50(42)32-11-12-32/h1-8,13-24,31-32,35-38,55-56H,9-12,25-28H2/b23-21+,24-22+/t35-,36-,37-,38-/m1/s1

IUPAC

(2S,4R)-2-((E)-2-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)vinyl)-6-oxotetrahydro-2H-pyran-4-yl (3R,5S,E)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive Small Molecule

Product Format

Neat