5-Chloro-8-hydroxyquinoline Glucuronide Sodium Salt (contains ~10% inorganics)

Analyte Name

5-Chloro-8-hydroxyquinoline Glucuronide Sodium Salt

Molecular Formula

C15 H13 Cl N Na O7

Molecular Weight

377.709

Accurate Mass

377.028

SMILES

O[C@H]1[C@H](Oc2ccc(Cl)c3cccnc23)O[C@@H]([C@@H](O)[C@@H]1O)C(=O)O[Na]

InChI

InChI=1S/C15H14ClNO7.Na/c16-7-3-4-8(9-6(7)2-1-5-17-9)23-15-12(20)10(18)11(19)13(24-15)14(21)22;/h1-5,10-13,15,18-20H,(H,21,22);/q;+1/p-1/t10-,11-,12+,13-,15+;/m0./s1

IUPAC

[(2S,3S,4S,5R,6S)-6-(5-chloroquinolin-8-yl)oxy-3,4,5-trihydroxyoxane-2-carbonyl]oxysodium

Alternate CAS Number

65851-39-0

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)