cinnarizine   Click here for help

GtoPdb Ligand ID: 9072

Synonyms: R-1575 | Stugeron®
Approved drug
cinnarizine is an approved drug (UK (1989))
Compound class: Synthetic organic
Comment: Cinnarizine is used primarily for its anti-histaminic activity, but it also has anti-cholinergic and calcium channel blocking effects, which may account for some of its side-effects.The INN record for this drug specifies cinnarizine clofibrate (PubChem CID 6436096).
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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 368.23
XLogP 5.3
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES c1ccc(cc1)C=CCN1CCN(CC1)C(c1ccccc1)c1ccccc1
Isomeric SMILES c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1
InChI InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2/b13-10+
InChI Key DERZBLKQOCDDDZ-JLHYYAGUSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (UK (1989))
IUPAC Name Click here for help
1-[di(phenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine
International Nonproprietary Names Click here for help
INN number INN
4272 cinnarizine clofibrate
Synonyms Click here for help
R-1575 | Stugeron®
Database Links Click here for help
BindingDB Ligand 50017657
CAS Registry No. 298-57-7
ChEMBL Ligand CHEMBL43064
DrugBank Ligand DB00568
DrugCentral Ligand 654
GtoPdb PubChem SID 315661157
PubChem CID 1547484
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