Analyte Name

Pitavastatin Acyl Glucuronide Sodium

CAS Number

574752-66-2

Molecular Formula

C32H33FNO9.Na

Molecular Weight

617.59

Accurate Mass

617.2

SMILES

O[C@H](C[C@H](O)\C=C\c1c(nc2ccccc2c1c3ccc(F)cc3)C4CC4)CC(=O)O[C@@H]5CC([C@@H](O)[C@H](O)C5O)C(=O)O[Na]

InChI

InChI=1S/C32H34FNO9.Na/c33-18-9-7-16(8-10-18)27-21-3-1-2-4-24(21)34-28(17-5-6-17)22(27)12-11-19(35)13-20(36)14-26(37)43-25-15-23(32(41)42)29(38)31(40)30(25)39;/h1-4,7-12,17,19-20,23,25,29-31,35-36,38-40H,5-6,13-15H2,(H,41,42);/q;+1/p-1/b12-11+;/t19-,20-,23?,25-,29-,30?,31+;/m1./s1

IUPAC

[(2R,3S,5R)-5-[(E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]-3,5-dihydroxy-hept-6-enoyl]oxy-2,3,4-trihydroxy-cyclohexanecarbonyl]oxysodium

Alternate CAS Number

574752-66-2

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat