1. Primary Information
| English name: | Vilazodone Hydrochloride |
| CAS No.: | 163521-08-2 |
| Molecular formula: | C26H28ClN5O2 |
| Molecular weight: | 478.0 g/mol |
| SMILES: | C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)OC(=C5)C(=O)N.Cl |
| Structural class: | |
| Other identifiers: |
2-benzofurancarboxamide, 5-(4-(4-(5-cyano-1H-indol-3-yl)butyl)-1-piperazinyl)-, hydrochloride (1:1) 5-(4-(4-(5-cyano-3-indolyl)butyl)-1-piperazinyl)benzofuran-2-carboxamide 68843, EMD EMB 68843 EMB-68843 |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥98% | 153 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100mg | 98% | 160 | 2-8℃ | in stock | - |
| Kehua Intelligence | 250mg | 98% | 280 | 2-8℃ | in stock | - |
| Kehua Intelligence | 1g | 98% | 720 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;hydrochloride
4.2 InChI
InChI=1S/C26H27N5O2.ClH/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32;/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32);1H
4.3 InChIKey
RPZBRGFNBNQSOP-UHFFFAOYSA-N
4.4 Canonical SMILES
C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)OC(=C5)C(=O)N.Cl
4.5 Isomeric SMILES
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