Analyte Name

Rupatadine-d4 N-oxide

Molecular Formula

C26 D4 H22 Cl N3 O

Molecular Weight

435.982

Accurate Mass

435.202

SMILES

[2H]C1([2H])CC(=C2c3ccc(Cl)cc3CCc4cccnc24)CC([2H])([2H])N1Cc5cc(C)cn(=O)c5

InChI

InChI=1S/C26H26ClN3O/c1-18-13-19(17-30(31)15-18)16-29-11-8-20(9-12-29)25-24-7-6-23(27)14-22(24)5-4-21-3-2-10-28-26(21)25/h2-3,6-7,10,13-15,17H,4-5,8-9,11-12,16H2,1H3/i11D2,12D2

IUPAC

3-[[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-2-ylidene)-2,2,6,6-tetradeuteriopiperidin-1-yl]methyl]-5-methylpyridine 1-oxide

Unlabelled CAS Number

1704730-21-1

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat