Analyte Name

2-[2-[2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethoxy]ethoxy]-ethanol-d8 Fumarate

Molecular Formula

C25 D8 H25 N3 O4 S . C4 H4 O4

Molecular Weight

595.734

Accurate Mass

595.28

SMILES

[2H]C1([2H])N(CCOCCOCCOCCO)C([2H])([2H])C([2H])([2H])N(C2=Nc3ccccc3Sc4ccccc24)C1([2H])[2H].OC(=O)\C=C\C(=O)O

InChI

InChI=1S/C25H33N3O4S.C4H4O4/c29-14-16-31-18-20-32-19-17-30-15-13-27-9-11-28(12-10-27)25-21-5-1-3-7-23(21)33-24-8-4-2-6-22(24)26-25;5-3(6)1-2-4(7)8/h1-8,29H,9-20H2;1-2H,(H,5,6)(H,7,8)/b;2-1+/i9D2,10D2,11D2,12D2;

IUPAC

2-[2-[2-[2-(4-benzo[b][1,4]benzothiazepin-6-yl-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethanol;(E)-but-2-enedioic acid

Unlabelled CAS Number

1356906-17-6

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat