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| CAS No.: | 163521-08-2 |
|---|---|
| Name: | Vilazodone hydrochloride |
| Molecular Structure: | |
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| Formula: | C26H27N5O2·HCl |
| Molecular Weight: | 364.525 |
| Synonyms: | 5-[4-[4-(5-Cyanoindol-3-yl)butyl]piperazin-1-yl]benzofuran-2-carboxamide hydrochloride; |
| EINECS: | 695-883-8 |
| Density: | N/A |
| Melting Point: | 279°C(lit.) |
| Boiling Point: | 745.1 °C at 760 mmHg |
| Flash Point: | 404.4 °C |
| Solubility: | N/A |
| Appearance: | White to almost white powder |
| Hazard Symbols: | F,T |
| Risk Codes: | 11-23/24/25-39/23/24/25 |
| Safety: | 7-16-36/37-45 |
| Transport Information: | N/A |
| PSA: | 103.28000 |
| LogP: | 5.71868 |
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The Vilazodone hydrochloride, with the CAS registry number 163521-08-2, is also known as 5-{4-[4-(5-Cyano-1H-indol-3-yl)butyl]-1-piperazinyl}-1-benzofuran-2-carboxamide hydrochloride (1:1). It belongs to the classification code of Antidepressant. This chemical's molecular formula is C26H27N5O2·HCl and molecular weight is 477.99. What's more, its IUPAC name is called 5-[4-[4-(5-Cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-
carboxamide hydrochloride.
Physical properties about Vilazodone hydrochloride are: (1)ACD/LogP: 3.985; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 7; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 68.65 Å2; (7)Flash Point: 404.4 °C; (8)Enthalpy of Vaporization: 108.63 kJ/mol; (9)Boiling Point: 745.1 °C at 760 mmHg; (10)Vapour Pressure: 4.5E-22 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cl.N#Cc1ccc2c(c1)c(cn2)CCCCN5CCN(c4cc3c(oc(c3)C(=O)N)cc4)CC5
(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
(3) InChIKey: RPZBRGFNBNQSOP-UHFFFAOYSA-N
