Basic information
- CAS
58350-13-3- Standard SMILES
Cl.Cl.O=C(CCCN1CCN2CCc3ccccc3CC2C1)c1ccc(F)cc1- InChIKey
WHXTUPRXPCLHFI-UHFFFAOYSA-N- Molecular formula
- C23H29Cl2FN2O
- Average molar mass
- 439.4 g/mol
- Monoisotopic mass
- 438.1640971
Names & identifiers
- Preferred name
- 1-Butanone, 1-(4-fluorophenyl)-4-(3,4,6,7,12,12a-hexahydropyrazino(2,1-b)(3)benzazepin-2(1H)-yl)-, dihydrochloride
- IUPAC
- 4-(3,4,6,7,12,12a-hexahydro-1H-pyrazino[2,1-b][3]benzazepin-2-yl)-1-(4-fluorophenyl)butan-1-one;dihydrochloride
Names & synonyms
2-gamma-(p-Fluorobenzoyl)propyl-1,2,4,6,7,12,12a-octahydropyrazino(2,1-b)(3)benzazepine 2HCl1-Butanone, 1-(4-fluorophenyl)-4-(3,4,6,7,12,12a-hexahydropyrazino(2,1-b)(3)benzazepin-2(1H)-yl)-, dihydrochloride58350-13-3RefChem:228857DTXSID109739131-(4-Fluorophenyl)-4-(3,4,6,7,12,12a-hexahydropyrazino[2,1-b][3]benzazepin-2(1H)-yl)butan-1-one--hydrogen chloride (1/2)
Database identifiers
- CAS
58350-13-3- PubChem CID
- 3045199
- DTXSID
DTXSID10973913
Properties
Computed structural properties
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 491
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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