3-Hydroxy Desloratadine β-D-Glucuronide Sodium Salt

Analyte Name

3-Hydroxy Desloratadine beta-D-Glucuronide Sodium Salt

Molecular Formula

C25 H26 Cl N2 Na O7

Molecular Weight

524.926

Accurate Mass

524.133

SMILES

O[C@@H]1[C@@H](O)[C@H](Oc2cnc3C(=C4CCNCC4)c5ccc(Cl)cc5CCc3c2)O[C@@H]([C@H]1O)C(=O)O[Na]

InChI

InChI=1S/C25H27ClN2O7.Na/c26-15-3-4-17-13(9-15)1-2-14-10-16(11-28-19(14)18(17)12-5-7-27-8-6-12)34-25-22(31)20(29)21(30)23(35-25)24(32)33;/h3-4,9-11,20-23,25,27,29-31H,1-2,5-8H2,(H,32,33);/q;+1/p-1/t20-,21-,22+,23-,25+;/m0./s1

IUPAC

[(2S,3S,4S,5R,6S)-6-[(13-chloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-6-yl)oxy]-3,4,5-trihydroxyoxane-2-carbonyl]oxysodium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat