benperidol   Click here for help

GtoPdb Ligand ID: 9215

Synonyms: Anquil® | MCN-JR-4584 | R-4584
Approved drug
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
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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
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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)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (UK (2006))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
1577 benperidol
Synonyms Click here for help
Anquil® | MCN-JR-4584 | R-4584
Database Links Click here for help
Specialist databases
GPCRdb Ligand benperidol
Other databases
BindingDB Ligand 81492
CAS Registry No. 2062-84-2 (source: PubChem)
ChEMBL Ligand CHEMBL297302
DrugCentral Ligand 312
GtoPdb PubChem SID 315661291
PubChem CID 16363
Search Google for chemical match using the InChIKey FEBOTPHFXYHVPL-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey FEBOTPHFXYHVPL-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey FEBOTPHFXYHVPL-UHFFFAOYSA-N