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Basic information
- CAS
40218-96-0- Standard SMILES
Fc1ccc(C(c2ccc(F)cc2)N2CCN(CC=Cc3ccccc3)CC2)cc1- InChIKey
SMANXXCATUTDDT-UHFFFAOYSA-N- Molecular formula
- C26H26F2N2
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 404.20640527
Names & identifiers
- Preferred name
- 1-(Bis(4-fluorophenyl)methyl)-4-(3-phenyl-2-propen-1-yl)piperazine
- IUPAC
- 1-[bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine
Names & synonyms
40218-96-0RefChem:10546081-(Bis(4-fluorophenyl)methyl)-4-(3-phenyl-2-propen-1-yl)piperazine(Z)-Flunarizine1-[bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-en-1-yl)piperazine1-[bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazineNCGC00018102-06Spectrum_001208Prestwick0_000312Prestwick1_000312Spectrum2_001382Spectrum3_001418
Show more names
Spectrum4_000827CBiol_001758Oprea1_381078SCHEMBL43441KBioGR_000061KBioGR_001373KBioSS_000061KBioSS_001688
Database identifiers
- CAS
40218-96-0- PubChem CID
- 3378
- DTXSID
DTXSID00860646- ChEMBL
CHEMBL3195822- EC Number
- 254-842-0
Properties
Computed structural propertiesFilling in
- XLogP
- 6
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 487
Chemistry & industry
Uses & manufacturing
UsesUse (kg; approx.) in Germany (2009): >25
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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