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Chemical structure of Flupenthixol dihydrochloride

GC15326

Flupenthixol dihydrochloride

Also known as 2-[4-[3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol;dihydrochloride

Flupentixol is an orally active D1/D2 dopamine receptor antagonist and new PI3K inhibitor (PI3Kα IC50=127 nM)

ChemicalCAS2413-38-9MW507.44FormulaC23H25F3N2OS·2HCl
CAS number
2413-38-9
Molecular weight
507.44
Formula
C23H25F3N2OS·2HCl
Solubility
＜50·74mg/ml in Water; ＜25·37mg/ml in DMSO
InChIKey
IOVDQEIIMOZNNA-UHFFFAOYSA-N
Catalogue number
GC15326
Brand
GLPBIO
Computed properties PubChem CID 17011 · TPSA 52 Ų · H-bond donors 3 · H-bond acceptors 7
TPSA
52 Ų
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
32

SMILES C1CN(CCN1CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO.Cl.Cl

Computed descriptors from PubChem (CID 17011), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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