Products 2454317-19-0

CAS 2454317-19-0 is the registry number for Brexpiprazole Impurity 60. Offered by: Chemat Brand. Available pack sizes: on request.

Brexpiprazole Impurity 60
Chemat Brand
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  • Variants: 1
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Structural formula: {0} (CAS {1})

7-[4-[4-(1-benzothiophen-4-yl)-1-[4-[(2-oxo-1H-quinolin-7-yl)oxy]butyl]piperazin-1-ium-1-yl]butoxy]-1H-quinolin-2-one iodide (CAS 2454317-19-0) is a chemical compound with the molecular formula C38H41IN4O4S and a molecular weight of 776.7 g/mol. IUPAC name: 7-[4-[4-(1-benzothiophen-4-yl)-1-[4-[(2-oxo-1H-quinolin-7-yl)oxy]butyl]piperazin-1-ium-1-yl]butoxy]-1H-quinolin-2-one iodide. InChIKey: HELFTAWVEPGLKY-UHFFFAOYSA-N.

Identity
Molecular formulaC38H41IN4O4S
Molecular weight776.7 g/mol
IUPAC name7-[4-[4-(1-benzothiophen-4-yl)-1-[4-[(2-oxo-1H-quinolin-7-yl)oxy]butyl]piperazin-1-ium-1-yl]butoxy]-1H-quinolin-2-one iodide
InChIKeyHELFTAWVEPGLKY-UHFFFAOYSA-N
SMILESC1C[N+](CCN1C2=C3C=CSC3=CC=C2)(CCCCOC4=CC5=C(C=C4)C=CC(=O)N5)CCCCOC6=CC7=C(C=C6)C=CC(=O)N7.[I-]

Computed by PubChem (NCBI)

Synonyms: N-[7-Butoxyquinolin-2(1H)-one] Brexpiprazole Iodide