flupentixol   Click here for help

GtoPdb Ligand ID: 948

Synonyms: cis flupenthixol | alpha-flupenthixol | flupenthixol
Approved drug
flupentixol is an approved drug
Compound class: Synthetic organic
Comment: The approved drug flupentixol (aka flupenthixol) is the cis form. Flupenthixol is not approved for marketing by US FDA, but is available in other countries. For the structure of the trans form please see our entry for trans-flupenthixol.
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View more information in the IUPHAR Pharmacology Education Project: flupentixol

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 52.01
Molecular weight 434.16
XLogP 4.42
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OCCN1CCN(CC1)CCC=C1c2ccccc2Sc2c1cc(cc2)C(F)(F)F
Isomeric SMILES OCCN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)C(F)(F)F
InChI InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5-
InChI Key NJMYODHXAKYRHW-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-(Trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol
International Nonproprietary Names Click here for help
INN number INN
1745 flupentixol
Synonyms Click here for help
cis flupenthixol | alpha-flupenthixol | flupenthixol
Database Links Click here for help
CAS Registry No. 53772-82-0 (source: Scifinder)
ChEMBL Ligand CHEMBL54661
DrugBank Ligand DB00875
GtoPdb PubChem SID 135650273
PubChem CID 5281881
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Wikipedia Flupentixol