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Product Overview

Product Code

TRC-O858680

CAS Number

2368233-78-5

Product Format

Neat

Molecular Formula

C25 H27 N3 O3 S

Molecular Weight

449.565

Product Categories

TRC

Product Information

Analyte Name

N-Oxo Brexpiprazole

CAS Number

2368233-78-5

Molecular Formula

C25 H27 N3 O3 S

Molecular Weight

449.565

Accurate Mass

449.177

SMILES

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

InChI

InChI=1S/C25H27N3O3S/c29-25-9-7-19-6-8-20(18-22(19)26-25)31-16-2-1-11-27-12-14-28(30,15-13-27)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)-4-oxidopiperazin-4-ium-1-yl]butoxy]-1H-quinolin-2-one

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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