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Brexpiprazole · CAS 913611-97-9 · C25H27N3O2S. UNII 2J3YBM1K8C. Boiling Point: 675.2; Melting Point: 135.1.
| CAS Registry Number | 913611-97-9 |
|---|---|
| PubChem CID | 11978813 |
| Molecular formula | C25H27N3O2S |
| IUPAC name | 7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1H-quinolin-2-one |
| UNII (FDA) | 2J3YBM1K8C |
| Molecular Weight | 433.6 |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 433.18239829 |
| Monoisotopic Mass | 433.18239829 |
| Topological Polar Surface Area | 73.1 |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Boiling Point | 675.2 |
|---|---|
| Melting Point | 135.1 |
| Reported hazard statements | H302 (96.6%), H351 (98.3%), H360 (96.6%), H362 (98.3%), H372 (96.6%), H400 (96.6%), H410 (98.3%), H361 (100%) |
|---|
H302 (96.6%): Harmful if swallowed [Warning Acute toxicity, oral]
H351 (98.3%): Suspected of causing cancer [Warning Carcinogenicity]
BREXPIPRAZOLE; 913611-97-9; Rexulti; OPC-34712; OPC 34712; brexpiprazol; 7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1H-quinolin-2-one; 2J3YBM1K8C; 7-(4-(4-(1-Benzothiophen-4-yl)piperazin-1-yl)butoxy)quinolin-2(1H)-one; DTXSID40238527; 7-{4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy}-1,2-dihydroquinolin-2-one; brexpiprazolum; 7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butoxy)-1H-quinolin-2-one; 7-{4-[4-(1-Benzothiophen-4-yl)piperazin-1-yl]butoxy}quinolin-2(1H)-one; 7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butoxy)-1,2-dihydroquinolin-2-one; RefChem:58868
CAS 913611-97-9; molecular formula C25H27N3O2S; molecular weight — g/mol.
BREXPIPRAZOLE, 913611-97-9, Rexulti, OPC-34712, OPC 34712, brexpiprazol.
Hazard statements reported: H302, H351, H360, H362, H372.
Boiling Point: 675.2; Melting Point: 135.1.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.