Brexpiprazole Impurity 62

cas: 2368233-78-5 — see every product listed under this CAS number, including other names

Brexpiprazole Impurity 62 (CAS 2368233-78-5) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-R182462
cas2368233-78-5
sizeon request
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Structural formula: {0} (CAS {1})

7-[4-[4-(1-benzothiophen-4-yl)-4-oxidopiperazin-4-ium-1-yl]butoxy]-1H-quinolin-2-one (CAS 2368233-78-5) is a chemical compound with the molecular formula C25H27N3O3S and a molecular weight of 449.6 g/mol. IUPAC name: 7-[4-[4-(1-benzothiophen-4-yl)-4-oxidopiperazin-4-ium-1-yl]butoxy]-1H-quinolin-2-one. InChIKey: HTKVOWLJKSZHCJ-UHFFFAOYSA-N.

Identity
Molecular formulaC25H27N3O3S
Molecular weight449.6 g/mol
IUPAC name7-[4-[4-(1-benzothiophen-4-yl)-4-oxidopiperazin-4-ium-1-yl]butoxy]-1H-quinolin-2-one
InChIKeyHTKVOWLJKSZHCJ-UHFFFAOYSA-N
SMILESC1C[N+](CCN1CCCCOC2=CC3=C(C=C2)C=CC(=O)N3)(C4=C5C=CSC5=CC=C4)[O-]

Computed by PubChem (NCBI)

Synonyms: Brexpiprazole Impurity 57, N-Oxo Brexpiprazole, 2(1H)-Quinolinone, 7-[4-(4-benzo[b]thien-4-yl-4-oxido-1-piperazinyl)butoxy]-
Isomers (same molecular formula)
7-[4-[4-(1-benzothiophen-4-yl)-1-oxidopiperazin-1-ium-1-yl]butoxy]-1H-quinolin-2-one C25H27N3O3S
7-[4-[4-(1-oxo-1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1H-quinolin-2-one C25H27N3O3S

Also listed as

N-Oxo Brexpiprazole TRC CAS 2368233-78-5