Analyte Name

3-Pyridinecarboxylic Acid Rupatadine-D4

Molecular Formula

C26 D4 H20 Cl N3 O2

Molecular Weight

449.965

Accurate Mass

449.181

SMILES

[2H]C1([2H])CC(=C2c3ccc(Cl)cc3CCc4cccnc24)CC([2H])([2H])N1Cc5cncc(c5)C(=O)O

InChI

InChI=1S/C26H24ClN3O2/c27-22-5-6-23-20(13-22)4-3-19-2-1-9-29-25(19)24(23)18-7-10-30(11-8-18)16-17-12-21(26(31)32)15-28-14-17/h1-2,5-6,9,12-15H,3-4,7-8,10-11,16H2,(H,31,32)/i10D2,11D2

IUPAC

5-[[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)-2,2,6,6-tetradeuteriopiperidin-1-yl]methyl]pyridine-3-carboxylic acid

Unlabelled CAS Number

156522-92-8

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat