Basic information
- CAS
55695-56-2- Standard SMILES
Cl.O=C(CCCN1CCC(C(=O)c2ccc(Cl)cc2)CC1)c1ccc(F)cc1- InChIKey
ZIJIVCQJKDRJOL-UHFFFAOYSA-N- Molecular formula
- C22H24Cl2FNO2
- Average molar mass
- 424.3 g/mol
- Monoisotopic mass
- 423.1168126
Overview
See also: Cloroperone (has active moiety).
Names & identifiers
- Preferred name
- Cloroperone Hydrochloride
- IUPAC
- 4-[4-(4-chlorobenzoyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one;hydrochloride
- English name
- AHR-6134
- Molecular formula
- C22H24Cl2FNO2
- Molecular weight
- 424.3358632
Names & synonyms
Cloroperone hydrochloride55695-56-2Cloroperone HClAHR-6134NSC-30970995U4NV3X821-Butanone, 4-(4-(4-chlorobenzoyl)-1-piperidinyl)-1-(4-fluorophenyl)-, hydrochlorideDTXSID40204227RefChem:127105DTXCID40126718RMI 9901A HClCloroperone hydrochloride [USAN]
Show more names
Chloroperone hydrochlorideAHR 6134|||AHR-6134|||AHR6134
4-(4-(p-Chlorobenzoyl)piperidino)-4'-fluorobutyrophenone hydrochlorideCloroperone hydrochloride (USAN)4-[4-(4-chlorobenzoyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one;hydrochlorideAHR 6134NSC 309709UNII-95U4NV3X824-[4-(p-Chlorobenzoyl)piperidino]-4'-fluorobutyrophenone hydrochlorideButyrophenone, 4-(4-(p-chlorobenzoyl)piperidino)-4'-fluoro-, hydrochloride
Database identifiers
- CAS
55695-56-2- PubChem CID
- 41535
- DTXSID
DTXSID40204227- ChEMBL
CHEMBL2106692- UNII
- 95U4NV3X82
Properties
Computed structural properties
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 491
Physicochemical properties
- FDA UNII
- 95 U4NV3X82 · 95U4NV3X82
Chemistry & industry
Applications
UsesAntipsychotic.
Suppliers5 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]
上海陶术生物科技股份有限公司+1-781-999-5354 · [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
Loading…