Analyte Name

Desloratadine lactose adduct

CAS Number

2126820-17-3

Molecular Formula

C31H39ClN2O10

Molecular Weight

635.11

Accurate Mass

634.23

SMILES

OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]2CO)N3CCC(=C4c5ccc(Cl)cc5CCc6cccnc46)CC3)[C@H](O)[C@@H](O)[C@H]1O

InChI

InChI=1S/C31H39ClN2O10/c32-18-5-6-19-17(12-18)4-3-16-2-1-9-33-23(16)22(19)15-7-10-34(11-8-15)30-27(40)26(39)29(21(14-36)42-30)44-31-28(41)25(38)24(37)20(13-35)43-31/h1-2,5-6,9,12,20-21,24-31,35-41H,3-4,7-8,10-11,13-14H2/t20-,21-,24+,25+,26-,27-,28-,29-,30-,31+/m1/s1

IUPAC

(2S,3R,4S,5R,6R)-2-(((2R,3S,4R,5R,6R)-6-(4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidin-1-yl)-4,5-dihydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

Country of Origin

CANADA

Product Format

Neat