Basic information
- CAS
58350-26-8- Standard SMILES
Cl.Cl.OC(CN1CCN2Cc3ccccc3CCC2C1)c1ccccc1- InChIKey
CKJAEGGEEIPMNV-UHFFFAOYSA-N- Molecular formula
- C21H28Cl2N2O
- Average molar mass
- 395.4 g/mol
- Monoisotopic mass
- 394.1578689
Names & identifiers
- Preferred name
- Pyrazino(1,2-b)(2)benzazepine-2(1H)-ethanol, 3,4,6,11,12,12a-hexahydro-alpha-phenyl-, dihydrochloride
- IUPAC
- 2-(2,4,4a,5,6,11-hexahydro-1H-pyrazino[1,2-b][2]benzazepin-3-yl)-1-phenylethanol;dihydrochloride
Names & synonyms
3,4,6,11,12,12a-Hexahydro-alpha-phenylpyrazino(1,2-b)(2)benzazepine-2-(1H)-ethanol 2HCl58350-26-8Pyrazino(1,2-b)(2)benzazepine-2(1H)-ethanol, 3,4,6,11,12,12a-hexahydro-alpha-phenyl-, dihydrochlorideRefChem:376027DTXSID509739172-(3,4,6,11,12,12a-Hexahydropyrazino[1,2-b][2]benzazepin-2(1H)-yl)-1-phenylethan-1-ol--hydrogen chloride (1/2)
Database identifiers
- CAS
58350-26-8- PubChem CID
- 3045211
- DTXSID
DTXSID50973917
Properties
Computed structural properties
- Topological polar surface area
- 26.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…