5-Hydroxybucindolol
2-[2-hydroxy-3-[[1-(5-hydroxy-1H-indol-3-yl)-2-methylpropan-2-yl]amino]propoxy]benzonitrile
Also Known As: 5-Hydroxybucindolol|2-(2-hydroxy-3-{[1-(5-hydroxy-1h-indol-3-yl)-2-methylpropan-2-yl]amino}propoxy)benzonitrile|2-[2-hydroxy-3-[[1-(5-hydroxy-1H-indol-3-yl)-2-methylpropan-2-yl]amino]propoxy]benzonitrile|2-{2-Hydroxy-3-[2-(5-hydroxy-1H-indol-3-yl)-1,1-dimethyl-ethylamino]-propoxy}-benzonitrile|Benzonitrile, 2-(2-hydroxy-3-((2-(5-hydroxy-1H-indol-3-yl)-1,1-dimethylethyl)amino)propoxy)-
| Molecular Formula | C22H25N3O3 |
|---|---|
| Molecular Weight | 379.1896 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 379.1896 |
| Monoisotopic Mass | 379.1896 |
| Heavy Atoms | 28 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 6338-02-9 |
|---|---|
| SMILES | CC(C)(CC1=CNC2=C1C=C(C=C2)O)NCC(COC3=CC=CC=C3C#N)O |
| InChIKey | RLHZDXDBSDXXNX-UHFFFAOYSA-N |
Product Overview
5-Hydroxybucindolol (CAS 6338-02-9), with molecular formula C22H25N3O3 and molecular weight 379.1896 g/mol. IUPAC: 2-[2-hydroxy-3-[[1-(5-hydroxy-1H-indol-3-yl)-2-methylpropan-2-yl]amino]propoxy]benzonitrile.
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