CAS No 913611-97-9

Molecular Formula: C₂₅H₂₇N₃O₂S

Molecular Weight: 433.57 g/mol

Purity: >99.5%

Synonyms: 7-{4-[4-(1-Benzothiophen-4-yl)piperazin-1-yl]butoxy}quinolin-2(1H)-one;Brexpiprazole; OPC-34712; 7-[4-(4-benzo[b]thien-4-yl-1-piperazinyl)butoxy]- 2(1H)-Quinolinone; 7-[4-[4-(1-Benzothiophen-4-yl)piperazin-1-yl]butoxy]-1H-quinolin-2-one; 7-[4-(4-(Benzo[b]thien-4-yl)-piperazin-1-yl)butoxy]-1H-quinolin-2-one; 7-(4-(4-(Benzo[b]thiophen-4-yl)piperazin-1-yl)butoxy)quinolin-2(1H)-one; Brexpiprazole impurity A

Melting point: 179-181ºC

Solution: Chloroform (Slightly), Methanol (Slightly)

Storage: Refrigerator

Canonical SMILES:

C1CN(CCN1CCCCOC2=CC3=C(C=C2)C=CC(=O)N3)C4=C5C=CSC5=CC=C4

InChI Code: 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)

InChl Key: ZKIAIYBUSXZPLP-UHFFFAOYSA-N

Applications: Brexpiprazole is a drug candidate useful in treatment and prevention of mental disorders including CNS disorders.