zuclopenthixol   Click here for help

GtoPdb Ligand ID: 7559

Synonyms: Acuphase® | cis(Z)-cloflupentixol | Cisordinol® | Clopixol® | NSC 64087 | NSC169185
Approved drug
zuclopenthixol is an approved drug
Compound class: Synthetic organic
Comment: Zuclopenthixol is a thioxanthene class typical antipsychotic. Chemically it is the cis-isomer of clopenthixol. The CAS registry number (53772-83-1) submitted with the WHO INN record for zuclopenthixol maps to PubChem CID 5311507.
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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 5
Topological polar surface area 52.01
Molecular weight 400.14
XLogP 4.12
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OCCN1CCN(CC1)CCC=C1c2ccccc2Sc2c1cc(Cl)cc2
Isomeric SMILES OCCN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(Cl)cc2
InChI InChI=1S/C22H25ClN2OS/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26/h1-2,4-8,16,26H,3,9-15H2/b18-5-
InChI Key WFPIAZLQTJBIFN-DVZOWYKESA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
2-[4-[(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol
International Nonproprietary Names Click here for help
INN number INN
5443 zuclopenthixol
Synonyms Click here for help
Acuphase® | cis(Z)-cloflupentixol | Cisordinol® | Clopixol® | NSC 64087 | NSC169185
Database Links Click here for help
CAS Registry No. 53772-83-1
ChEMBL Ligand CHEMBL53904
DrugBank Ligand DB01624
DrugCentral Ligand 2877
GtoPdb PubChem SID 223365895
PubChem CID 5311507
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Wikipedia Zuclopenthixol