Analyte Name

3-Hydroxy Desloratadine beta-D-Glucuronide-d4

Molecular Formula

C25 D4 H23 Cl N2 O7

Molecular Weight

506.969

Accurate Mass

506.176

SMILES

[2H]C1([2H])CC(=C2c3ccc(Cl)cc3CCc4cc(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(=O)O)cnc24)CC([2H])([2H])N1

InChI

InChI=1S/C25H27ClN2O7/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)/t20-,21-,22+,23-,25+/m0/s1/i7D2,8D2

IUPAC

(2S,3S,4S,5R,6S)-6-[[13-chloro-2-(2,2,6,6-tetradeuteriopiperidin-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-carboxylic acid

Unlabelled CAS Number

774538-89-5

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat