ABC00298GU

Brexpiprazole sulfoxide (Crude)

Brexpiprazole sulfoxide (Crude) is a sulfur-oxidized metabolite derived from the parent antipsychotic drug, featuring an oxidized thiazole ring with a sulfoxide (S=O) functionality at the 1,3-dithiolane core. This impurity retains the piperazine and dibenzothiazepine moieties characteristic of Brexpiprazole but exhibits altered redox properties due to the sulfoxide substitution. It arises via oxidative degradation pathways under acidic or thermal stress conditions. This compound serves as a critical reference standard for HPLC-based impurity profiling in Brexpiprazole drug substance analysis.

On Request
Molecular Formula C25H27N3O3S
Molecular Weight 449.6000
CAS Number 1191900-51-2 ✓ Verified
PubChem CID 44256485 ↗
Purity N/A
Product Type API Impurity
Parent Drug Brexpiprazole
Lead Time On Request
IUPAC Name 7-[4-[4-(1-oxo-1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1H-quinolin-2-one

📝 Synonyms

Brexpiprazole S-oxide 1191900-51-2 DM-3411 2(1H)-Quinolinone, 7-(4-(4-(1-oxidobenzo(b)thien-4-yl)-1-piperazinyl)butoxy)- N22UPQ09R0 UNII-N22UPQ09R0 7-[4-[4-(1-oxo-1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1H-quinolin-2-one Brexpiprazole S-Oxide; 2(1H)-Quinolinone, 7-[4-[4-(1-oxidobenzo[b]thien-4-yl)-1-piperazinyl]butoxy]- (ACI); 7-[4-[4-(1-Oxidobenzo[b]thien-4-yl)-1-piperazinyl]butoxy]-2(1H)-quinolinone (ACI) BrexpiprazoleS-Oxide orb1992926

🔬 Chemical Identifiers

C1CN(CCN1CCCCOC2=CC3=C(C=C2)C=CC(=O)N3)C4=C5C=CS(=O)C5=CC=C4
InChI=1S/C25H27N3O3S/c29-25-9-7-19-6-8-20(18-22(19)26-25)31-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-32(24)30/h3-10,17-18H,1-2,11-16H2,(H,26,29)
VJYXYAVCCLPIPM-UHFFFAOYSA-N

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