Analyte Name

Di(2-(4-(dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl))-2-propoxyethyl Propionate-d8

Molecular Formula

C40 D8 H34 N6 O3 S2

Molecular Weight

726.979

Accurate Mass

726.326

SMILES

[2H]C1([2H])N(CCOCCOC(=O)CN2CCN(CC2)C3=Nc4ccccc4Sc5ccccc35)C([2H])([2H])C([2H])([2H])N(C6=Nc7ccccc7Sc8ccccc68)C1([2H])[2H]

InChI

InChI=1S/C40H42N6O3S2/c47-38(29-44-19-23-46(24-20-44)40-31-10-2-6-14-35(31)51-37-16-8-4-12-33(37)42-40)49-28-27-48-26-25-43-17-21-45(22-18-43)39-30-9-1-5-13-34(30)50-36-15-7-3-11-32(36)41-39/h1-16H,17-29H2/i17D2,18D2,21D2,22D2

IUPAC

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

Unlabelled CAS Number

1798840-31-9

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat