ChemicalBook--->CAS DataBase List--->2094559-58-5

2094559-58-5

2094559-58-5 Structure

2094559-58-5 Structure
IdentificationBack Directory
[Name]

Brexpiprazole Impurity 2
[CAS]

2094559-58-5
[Synonyms]

Brexpiprazole-imJ
2(1H)-Quinolinone, 7-[4-(4-benzo[b]thien-4-yl-1-piperazinyl)butoxy]-1-[4-[(1,2-dihydro-2-oxo-7-quinolinyl)oxy]butyl]-
[Molecular Formula]

C38H40N4O4S
[MDL Number]

MFCD30721924
[MOL File]

2094559-58-5.mol
[Molecular Weight]

648.81
Questions And AnswerBack Directory
[Preparation]

Brexpiprazole Impurity 2 can be prepared by a coupling reaction of 4-chlorobenzothiophene and piperazine under palladium catalysis.

Chemical PropertiesBack Directory
[Boiling point ]

866.8±65.0 °C(Predicted)
[density ]

1.260±0.06 g/cm3(Predicted)
[pka]

11.22±0.70(Predicted)
[InChIKey]

ASMZGKYPXIZKIZ-UHFFFAOYSA-N
[SMILES]

N1(CCCCOC2=CC3=C(C=C2)C=CC(=O)N3)C2=C(C=CC(OCCCCN3CCN(C4=C5C=CSC5=CC=C4)CC3)=C2)C=CC1=O
Raw materials And Preparation ProductsBack Directory
[Raw materials]

4-chloro- Benzo[b]thiophene-->Piperazine
[Preparation Products]

Brexpiprazole
Hazard InformationBack Directory
[Uses]

N-[4-((2-Oxo-1,2-dihydroquinolin-7-yl)oxy)butyl] Brexpiprazole is a derivative of Brexpiprazole (B677385) which is a drug candidate useful in treatment and prevention of mental disorders including CNS disorders.
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