Basic information
- CAS
61764-61-2- Standard SMILES
O=C(CCCN1CCC(C(=O)c2ccc(Cl)cc2)CC1)c1ccc(F)cc1- InChIKey
OCXLBOACUPDBRL-UHFFFAOYSA-N- Molecular formula
- C22H23ClFNO2
- Average molar mass
- 387.9 g/mol
- Monoisotopic mass
- 387.1401348
Overview
Cloroperone is a small molecule drug. The usage of the INN stem '-perone' in the name indicates that Cloroperone is a tranquillizer, neuroleptic, 4'-fluoro-4-piperidinobutyrophenone derivative. Cloroperone has a monoisotopic molecular weight of 387.14 Da.
Names & identifiers
- Preferred name
- Cloroperone
- IUPAC
- 4-[4-(4-chlorobenzoyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
- English name
- Cloroperone
- Molecular formula
- C22H23ClFNO2
- Molecular weight
- 387.88
Names & synonyms
CLOROPERONECloroperona61764-61-2Cloroperonum948IHI495K4-(4-(p-Chlorobenzoyl)piperidino)-4'-fluorobutyrophenoneDTXSID502107581-Butanone, 4-(4-(4-chlorobenzoyl)-1-piperidinyl)-1-(4-fluorophenyl)-1-Butanone, 4-(4-(4-chlorobenzoyl)-1-piperdinyl)-1-(4-fluorophenyl)-RefChem:127104DTXCID80133249Fenaperone1-Butanone, 4-(4-(4-chlorobenzoyl)-1-piperdinyl)-1-(4-fluorophenyl)-
Show more names
γ-[4-(4-Chlorobenzoyl)piperidino]-4'-fluorobutyrophenone1-Butanone, 4-[4-(4-chlorobenzoyl)-1-piperidinyl]-1-(4-fluorophenyl)-
Cloroperone [INN]4-[4-(4-chlorobenzoyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-oneCloroperonum [INN-Latin]Cloroperona [INN-Spanish]UNII-948IHI495Korb2281151CHEMBL2110929NIOSH/EL7064000
Database identifiers
- CAS
61764-61-2- PubChem CID
- 41536
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 491
Physicochemical properties
- Boiling point
- 529.5 · 529.5±50.0 °C(Predicted)
- Density
- 1.209 · 1.209±0.06 g/cm3(Predicted)
- pka
- 7.99 · 7.99±0.10(Predicted)
- FDA UNII
- 948 IHI495K · 948IHI495K
Chemistry & industry
Applications
UsesAntipsychotic.
Suppliers4 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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