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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View more information in the IUPHAR Pharmacology Education Project: benperidol

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

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

SMILES / InChI / InChIKey
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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)
InChI Key FEBOTPHFXYHVPL-UHFFFAOYSA-N

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

References
1. Seeman P, Tallerico T. (1998)
Antipsychotic drugs which elicit little or no parkinsonism bind more loosely than dopamine to brain D2 receptors, yet occupy high levels of these receptors.
Mol Psychiatry, 3 (2): 123-34. [PMID:9577836]