Declenperone
Basic information
- CAS
63388-37-4- Standard SMILES
O=C(c1ccc(F)cc1)C1CCN(CCCn2c(=O)[nH]c3ccccc32)CC1- InChIKey
VNLMLHDKNUIWNM-UHFFFAOYSA-N- Molecular formula
- C22H24FN3O2
- Average molar mass
- 381.4 g/mol
- Monoisotopic mass
- 381.18525518
Overview
Declenperone is a small molecule drug. The usage of the INN stem '-perone' in the name indicates that Declenperone is a tranquillizer, neuroleptic, 4'-fluoro-4-piperidinobutyrophenone derivative. Declenperone has a monoisotopic molecular weight of 381.19 Da.
Names & identifiers
- Preferred name
- Declenperone
- IUPAC
- 3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1H-benzimidazol-2-one
- English name
- Declenperone
- Molecular formula
- C22H24FN3O2
- Molecular weight
- 381.44
Names & synonyms
Declenperone63388-37-4DeclenperonDeclenperona3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1H-benzimidazol-2-oneNSC-328505R 33,204MLS003170734280VGV0X4HR-332042H-Benzimidazol-2-one, 1-(3-(4-(4-fluorobenzoyl)-1-piperidinyl)propyl)-1,3-dihydro-1-(3-(4-(p-Fluorobenzoyl)piperidino)propyl)-2-benzimidazolinone
Show more names
Milenperone Impurity 61-[3-[4-(4-Fluorobenzoyl)piperidino]propyl]-1,3-dihydro-2H-benzimidazol-2-one2H-Benzimidazol-2-one, 1-[3-[4-(4-fluorobenzoyl)-1-piperidinyl]propyl]-1,3-dihydro-
DeclenperonumDeclenperone [USAN:INN]Declenperonum [INN-Latin]Declenperona [INN-Spanish]UNII-280VGV0X4H2H-Benzimidazol-2-one,1-[3-[4-(4-fluorobenzoyl)-1-piperidinyl]propyl]-1,3-dihydro-Declenperone (USAN/INN)DECLENPERONE [INN]
Database identifiers
- CAS
63388-37-4- PubChem CID
- 71744
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 52.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 556
Physicochemical properties
- Density
- 1.226 · 1.226±0.06 g/cm3(Predicted)
- pka
- 12.2 · 12.20±0.30(Predicted)
- FDA UNII
- 280 VGV0X4H · 280VGV0X4H
Chemistry & industry
Applications
UsesSedative (veterinary).
UsesDeclenperon acts as a reagent for antimalarial drug lead identification. The are also used in the chemical development of selective and specific serotonin S2-antagonists.
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Related reactions
1 records
Compound notes
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