RefChem:349714
1-(3-benzo[b][1]benzazepin-11-ylpropyl)-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide dichloride
Also Known As: AC1L1QYI|RefChem:349714|C28H36N4O.2ClH.1/2H2O|C28-H36-N4-O.2Cl-H.1/2H2-O|Isonipecotamide, 1-(3-(5H-dibenz(b,f)azepin-5-yl)propyl)-4-piperidino-, hydrochloride, hydrate (2:4:1)|1-(3-benzo[b][1]benzazepin-11-ylpropyl)-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide dichloride|ISONIPECOTAMIDE, 1-(3-(5H-DIBENZ(b,f)AZEPIN-5-YL)PROPYL)-4-PIPERIDINO-, HYDROCHL
| Molecular Formula | C28H38Cl2N4O |
|---|---|
| Molecular Weight | 516.24225 g/mol |
| LogP | -4.32 |
| Topological Polar Surface Area | 55.21 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 516.24225 |
| Heavy Atoms | 35 |
| Complexity | 964.0 |
Chemical Identifiers
| CAS Number | 28027-99-8 |
|---|---|
| SMILES | C1CC[NH+](CC1)C2(CC[NH+](CC2)CCCN3C4=CC=CC=C4C=CC5=CC=CC=C53)C(=O)N.[Cl-].[Cl-] |
Product Overview
RefChem:349714 (CAS 28027-99-8), with molecular formula C28H38Cl2N4O and molecular weight 516.24225 g/mol. IUPAC: 1-(3-benzo[b][1]benzazepin-11-ylpropyl)-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide dichloride.
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