| SpectraBase Spectrum ID |
9mODT7RZxEX |
| Name |
Brexpiprazole |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
22906 |
| Lot Number |
0511889-1 |
| CAS Registry Number |
913611-97-9 |
| Cell Type |
Capillary tube |
| Compound Type |
Pure |
| Copyright |
Copyright © 2015-2024 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 |
| Molecular Weight |
433.570 g/mol |
| Raman Corrections |
Referenced to internal white light source; 180 degree backscatter |
| Raman Laser Power |
1002 mW |
| Raman Laser Source |
Nd:YAG |
| SMILES |
N1c2c(\C=C/C1=O)ccc(c2)OCCCCN1CCN(CC1)c1c2c(ccc1)scc2 |
| Scans Performed |
2816 |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
OPC 34712 |
| Technique |
FT-Raman |
