Analyte Name

9-Chloro Quetiapine-D8

Molecular Formula

C21 D8 H16 Cl N3 O2 S

Molecular Weight

426.002

Accurate Mass

425.178

SMILES

[2H]C1([2H])N(CCOCCO)C([2H])([2H])C([2H])([2H])N(C2=Nc3c(Cl)cccc3Sc4ccccc24)C1([2H])[2H]

InChI

InChI=1S/C21H24ClN3O2S/c22-17-5-3-7-19-20(17)23-21(16-4-1-2-6-18(16)28-19)25-10-8-24(9-11-25)12-14-27-15-13-26/h1-7,26H,8-15H2/i8D2,9D2,10D2,11D2

IUPAC

2-[2-[4-(4-chlorobenzo[b][1,4]benzothiazepin-6-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]ethoxy]ethanol

Unlabelled CAS Number

1371638-11-7

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat