1. Primary Information
| English name: | Vortioxetine Hydrobromide |
| CAS No.: | 960203-27-4 |
| Molecular formula: | C18H23BRN2S |
| Molecular weight: | 379.4 g/mol |
| SMILES: | CC1=CC(=C(C=C1)SC2=CC=CC=C2N3CCNCC3)C.Br |
| Structural class: | |
| Other identifiers: |
1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine brintellix Lu AA21004 Lu-AA21004 LuAA21004 |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 99% | 448 | -20℃ | in stock | - |
| Kehua Intelligence | 25mg | 99% | 832 | -20℃ | in stock | - |
| Kehua Intelligence | 100mg | 99% | 1664 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine;hydrobromide
4.2 InChI
InChI=1S/C18H22N2S.BrH/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20;/h3-8,13,19H,9-12H2,1-2H3;1H
4.3 InChIKey
VNGRUFUIHGGOOM-UHFFFAOYSA-N
4.4 Canonical SMILES
CC1=CC(=C(C=C1)SC2=CC=CC=C2N3CCNCC3)C.Br
4.5 Isomeric SMILES
-
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
-- No 3D model data available --
