Clofibric Acid Acyl-Beta-D-glucuronide (90%)

Analyte Name

Clofibric Acid Acyl-Beta-D-glucuronide

CAS Number

72072-47-0

Molecular Formula

C16 H19 Cl O9

Molecular Weight

390.77

Accurate Mass

390.0718

SMILES

CC(C)(Oc1ccc(Cl)cc1)C(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O

InChI

InChI=1S/C16H19ClO9/c1-16(2,26-8-5-3-7(17)4-6-8)15(23)25-14-11(20)9(18)10(19)12(24-14)13(21)22/h3-6,9-12,14,18-20H,1-2H3,(H,21,22)/t9-,10-,11+,12-,14-/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-6-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Storage Temperature

-20°C

Shipping Temperature

Dry Pack

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Clofibric acid

Purity

>95% (HPLC)