| SpectraBase Spectrum ID |
p1TO5oO4T6 |
| Name |
Brexpiprazole |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
22906 |
| Lot Number |
0511889-1 |
| Accessory |
DurasamplIR II |
| Apodization Function |
Norton-Beer, medium |
| CAS Registry Number |
913611-97-9 |
| Copyright |
Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H27N3O2S |
| IUPAC Name |
7-[4-(4-Benzo[b]thien-4-yl-1-piperazinyl)butoxy]-2(1H)-quinolinone |
| InChI |
InChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-10,17-18H,1-2,11-16H2,(H,26,29) |
| InChIKey |
ZKIAIYBUSXZPLP-UHFFFAOYSA-N |
| Instrument Name |
Bio-Rad FTS
|
| SMILES |
N1c2c(\C=C/C1=O)ccc(c2)OCCCCN1CCN(CC1)c1c2c(ccc1)scc2 |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
OPC 34712 |
| Technique |
ATR-Neat |
