benperidol   

GtoPdb Ligand ID: 9215

Synonyms: Anquil® | MCN-JR-4584 | R-4584
benperidol is an approved drug (UK (2006))
Compound class: Synthetic organic
Comment: Benperidol is a butyrophenone antipsychotic, with general properties similar to those of haloperidol.
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 58.1
Molecular weight 381.19
XLogP 3.04
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
Isomeric SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
InChI InChI=1S/C22H24FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)
InChI Key FEBOTPHFXYHVPL-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (UK (2006))
IUPAC Name
3-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one
International Nonproprietary Names
INN number INN
1577 benperidol
Synonyms
Anquil® | MCN-JR-4584 | R-4584
Database Links
BindingDB Ligand 81492
CAS Registry No. 2062-84-2 (source: PubChem)
ChEMBL Ligand CHEMBL297302
DrugCentral Ligand 312
GtoPdb PubChem SID 315661291
PubChem CID 16363
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