Basic information
- CAS
77796-07-7- Standard SMILES
Cl.Cl.OCCN1CCN(CCN2CCCC(c3ccc(F)cc3)c3ccc(F)cc32)CC1- InChIKey
SRBBMOABHXYZII-UHFFFAOYSA-N- Molecular formula
- C24H33Cl2F2N3O
- Average molar mass
- 488.4 g/mol
- Monoisotopic mass
- 487.1968744
Names & identifiers
- Preferred name
- 1H-1-Benzazepine, 2,3,4,5-tetrahydro-8-fluoro-5-(4-fluorophenyl)-1-(2-(4-(2-hydroxyethyl)-1-piperazinyl)ethyl)-, dihydrochloride
- IUPAC
- 2-[4-[2-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethyl]piperazin-1-yl]ethanol;dihydrochloride
Names & synonyms
VUFB-1413077796-07-71H-1-Benzazepine, 2,3,4,5-tetrahydro-8-fluoro-5-(4-fluorophenyl)-1-(2-(4-(2-hydroxyethyl)-1-piperazinyl)ethyl)-, dihydrochlorideRefChem:237235DTXSID409990052-(4-{2-[8-Fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]ethyl}piperazin-1-yl)ethan-1-ol--hydrogen chloride (1/2)
Database identifiers
- CAS
77796-07-7- PubChem CID
- 53799
- DTXSID
DTXSID40999005
Properties
Computed structural properties
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 509
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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