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Product Overview

Product Code

TRC-B677425

CAS Number

1191900-58-9

Product Format

Neat

Molecular Formula

C25H27N3O3S

Molecular Weight

449.57

API Family

Brexpiprazole

Product Categories

TRC, Impurity Reference Materials

Product Type

Impurity

Documentation

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Product Information

Chemical Data

Analyte Name

Brexpiprazole N-Oxide

CAS Number

1191900-58-9

Molecular Formula

C25H27N3O3S

Molecular Weight

449.57

Accurate Mass

449.1773

SMILES

[O-][N+]1(CCCCOc2ccc3C=CC(=O)Nc3c2)CCN(CC1)c4cccc5sccc45

InChI

InChI=1S/C25H27N3O3S/c29-25-9-7-19-6-8-20(18-22(19)26-25)31-16-2-1-13-28(30)14-11-27(12-15-28)23-4-3-5-24-21(23)10-17-32-24/h3-10,17-18H,1-2,11-16H2,(H,26,29)

IUPAC

7-[4-[4-(1-benzothiophen-4-yl)-1-oxidopiperazin-1-ium-1-yl]butoxy]-1H-quinolin-2-one

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Brexpiprazole

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