buclizine   Click here for help

GtoPdb Ligand ID: 7134

Synonyms: UCB-4445
Approved drug
buclizine is an approved drug
Compound class: Synthetic organic
Comment: Buclizine is a piperazine derivative antihistamine and anticholinergic drug, with antiemetic properties.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 6.48
Molecular weight 432.23
XLogP 7.14
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES Clc1ccc(cc1)C(c1ccccc1)N1CCN(CC1)Cc1ccc(cc1)C(C)(C)C
Isomeric SMILES Clc1ccc(cc1)C(c1ccccc1)N1CCN(CC1)Cc1ccc(cc1)C(C)(C)C
InChI InChI=1S/C28H33ClN2/c1-28(2,3)25-13-9-22(10-14-25)21-30-17-19-31(20-18-30)27(23-7-5-4-6-8-23)24-11-15-26(29)16-12-24/h4-16,27H,17-21H2,1-3H3
InChI Key MOYGZHXDRJNJEP-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
1-[(4-tert-butylphenyl)methyl]-4-[(4-chlorophenyl)(phenyl)methyl]piperazine
International Nonproprietary Names Click here for help
INN number INN
291 buclizine
Synonyms Click here for help
UCB-4445
Database Links Click here for help
CAS Registry No. 82-95-1
ChEMBL Ligand CHEMBL1201271
DrugBank Ligand DB00354
DrugCentral Ligand 416
GtoPdb PubChem SID 178103710
PubChem CID 6729
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Wikipedia Buclizine