Basic information
- CAS
77795-96-1- Standard SMILES
O=C(C[NH+]1CCCC1)N1CCCC(c2ccc(F)cc2)c2ccc(F)cc21.O=C([O-])C(=O)O- InChIKey
IFQPDXFRMOFCFD-UHFFFAOYSA-N- Molecular formula
- C24H26F2N2O5
- Average molar mass
- 460.5 g/mol
- Monoisotopic mass
- 460.18097826
Names & identifiers
- Preferred name
- 1H-1-Benzazepine, 2,3,4,5-tetrahydro-8-fluoro-5-(4-fluorophenyl)-1-(1-pyrrolidinylacetyl)-, ethanedioate (1:1)
- IUPAC
- 1-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-pyrrolidin-1-ium-1-ylethanone;2-hydroxy-2-oxoacetate
Names & synonyms
VUFB-1412677795-96-11H-1-Benzazepine, 2,3,4,5-tetrahydro-8-fluoro-5-(4-fluorophenyl)-1-(1-pyrrolidinylacetyl)-, ethanedioate (1:1)RefChem:237233
Database identifiers
- CAS
77795-96-1- PubChem CID
- 53785
Properties
Computed structural properties
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 581
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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