flupentixol

Ligand Id: 948
Ligand name flupentixol

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 52.01
Molecular weight 434.16
XLogP 4.91
No. Lipinski's rules broken 0

Molecular properties generated using the CDK


Classification
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name
2-[4-[(3Z)-3-[2-(Trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol
International Nonproprietary Names
INN number INN
1745 flupentixol
Synonyms
cis flupenthixol
alpha-flupenthixol
flupenthixol
Database Links
CAS Registry No. 53772-82-0 (source: Scifinder)
ChEMBL Ligand CHEMBL42055
DrugBank Ligand DB00875
PubChem CID 5281881
Search Google for chemical match using the InChIKey NJMYODHXAKYRHW-DVZOWYKESA-N
Search Google for chemicals with the same backbone NJMYODHXAKYRHW
Search PubMed clinical trials flupentixol
Search PubMed titles flupentixol
Search PubMed titles/abstracts flupentixol
Wikipedia Flupentixol
Comments
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.