Project Description
TECHNICAL INFORMATION
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.