Analyte Name

Quetiapine N-Ethoxyethanol Chloride-D8

Molecular Formula

C25 D8 H26 N3 O4 S . Cl

Molecular Weight

516.122

Accurate Mass

515.246

SMILES

[Cl-].[2H]C1([2H])N(C2=Nc3ccccc3Sc4ccccc24)C([2H])([2H])C([2H])([2H])[N+](CCOCCO)(CCOCCO)C1([2H])[2H]

InChI

InChI=1S/C25H34N3O4S.ClH/c29-15-19-31-17-13-28(14-18-32-20-16-30)11-9-27(10-12-28)25-21-5-1-3-7-23(21)33-24-8-4-2-6-22(24)26-25;/h1-8,29-30H,9-20H2;1H/q+1;/p-1/i9D2,10D2,11D2,12D2;

IUPAC

2-[2-[4-benzo[b][1,4]benzothiazepin-6-yl-2,2,3,3,5,5,6,6-octadeuterio-1-[2-(2-hydroxyethoxy)ethyl]piperazin-1-ium-1-yl]ethoxy]ethanol;chloride

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat