Trans-flupenthixol
2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol
Molecular Identity
Trans-flupenthixol
2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol
PubChem CID: 5281878
2-[4-[3-[2-(trifluoromethyl)-9-thioxanthenylidene]propyl]-1-piperazinyl]ethanol is a member of thioxanthenes.
2D Structure
Properties
C23H25F3N2OS
Molecular Formula
434.50
Molecular Weight
g/mol
434.1640
Exact Mass
Da
4.5
XLogP
Drug-like (Lipinski: < 5)
52
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
591
Complexity
SMILES
Canonical SMILES
SMILES: C1CN(CCN1CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCOIsomeric SMILES
SMILES: C1CN(CCN1CC/C=C/2\C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCOSynonyms(20)
trans-flupenthixoltrans-(E)-Flupentixol53772-85-3RefChem:11002712-(4-(3-(2-(trifluoromethyl)thioxanthen-9-ylidene)propyl)piperazin-1-yl)ethanoltrans-Flupentixolbeta-Flupenthixol(E)-FlupenthixolE-FlupentixolFlupentixol, (E)-E-flupenthixol.beta.-flupenthixol2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanolFlupentiol895OJP78MJ
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Trans-flupenthixol
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