Product Code

TRC-O855350

CAS Number

2094559-58-5

Product Format

Neat

Molecular Formula

C38 H40 N4 O4 S

Molecular Weight

648.814

Product Categories

TRC, Impurity Reference Materials

Product Type

Impurity

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

N-[4-((2-Oxo-1,2-dihydroquinolin-7-yl)oxy)butyl] Brexpiprazole

CAS Number

2094559-58-5

Molecular Formula

C38 H40 N4 O4 S

Molecular Weight

648.814

Accurate Mass

648.277

SMILES

O=C1Nc2cc(OCCCCN3C(=O)C=Cc4ccc(OCCCCN5CCN(CC5)c6cccc7sccc67)cc34)ccc2C=C1

InChI

InChI=1S/C38H40N4O4S/c43-37-14-10-28-8-12-30(26-33(28)39-37)45-24-4-2-18-42-35-27-31(13-9-29(35)11-15-38(42)44)46-23-3-1-17-40-19-21-41(22-20-40)34-6-5-7-36-32(34)16-25-47-36/h5-16,25-27H,1-4,17-24H2,(H,39,43)

IUPAC

7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1-[4-[(2-oxo-1H-quinolin-7-yl)oxy]butyl]quinolin-2-one

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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N-[4-((2-Oxo-1,2-dihydroquinolin-7-yl)oxy)butyl] Brexpiprazole

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