2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl-d8)ethoxy)ethyl Acetate

Analyte Name

2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl-d8)ethoxy)ethyl Acetate

Molecular Formula

C23 D8 H19 N3 O3 S

Molecular Weight

433.593

Accurate Mass

433.228

SMILES

[2H]C1([2H])N(CCOCCOC(=O)C)C([2H])([2H])C([2H])([2H])N(C2=Nc3ccccc3Sc4ccccc24)C1([2H])[2H]

InChI

InChI=1S/C23H27N3O3S/c1-18(27)29-17-16-28-15-14-25-10-12-26(13-11-25)23-19-6-2-4-8-21(19)30-22-9-5-3-7-20(22)24-23/h2-9H,10-17H2,1H3/i10D2,11D2,12D2,13D2

IUPAC

2-[2-(4-benzo[b][1,4]benzothiazepin-6-yl-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)ethoxy]ethyl acetate

Unlabelled CAS Number

844639-07-2

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat