Analyte Name

Pitavastatin 3-Ether Glucuronide

CAS Number

224320-11-0

Molecular Formula

C31 H32 F N O10

Molecular Weight

597.585

Accurate Mass

597.201

SMILES

O[C@@H](C[C@H](CC(=O)O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O)\C=C\c2c(nc3ccccc3c2c4ccc(F)cc4)C5CC5

InChI

InChI=1S/C31H32FNO10/c32-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)33-25(16-5-6-16)21(24)12-11-18(34)13-19(14-23(35)36)42-31-28(39)26(37)27(38)29(43-31)30(40)41/h1-4,7-12,16,18-19,26-29,31,34,37-39H,5-6,13-14H2,(H,35,36)(H,40,41)/b12-11+/t18-,19-,26+,27+,28-,29+,31-/m1/s1

IUPAC

(2S,3S,4S,5R,6R)-6-[(E,2R,4S)-1-carboxy-6-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-4-hydroxyhex-5-en-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat