Brexpiprazole-d8

Analyte Name

Brexpiprazole-d8

CAS Number

1427049-19-1

Molecular Formula

C25H19D8N3O2S

Molecular Weight

441.62

Accurate Mass

441.2326

SMILES

[2H]C([2H])(Oc1ccc2C=CC(=O)Nc2c1)C([2H])([2H])C([2H])([2H])C([2H])([2H])N3CCN(CC3)c4cccc5sccc45

InChI

InChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-10,17-18H,1-2,11-16H2,(H,26,29)/i1D2,2D2,11D2,16D2

IUPAC

7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]-1,1,2,2,3,3,4,4-octadeuteriobutoxy]-1H-quinolin-2-one

Unlabelled CAS Number

913611-97-9

SIL Type

Deuterium

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

API Family

Brexpiprazole

Purity

>95% (HPLC)