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Chemical structure of Haloperidol

GC17599

Haloperidol

Also known as 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one

Haloperidol is a classic antipsychotic and dopamine D2-like receptor antagonist, as well as an ion channel inhibitor that inhibits a variety of ion channels, such as G-protein-activated inwardly rectifying potassium channels, calcium-activated potassium channels, HERG and HEAG potassium channels, as well as L-, N- and P-type calcium channels

ChemicalCAS52-86-8MW375.86FormulaC21H23ClFNO2
CAS number
52-86-8
Molecular weight
375.86
Formula
C21H23ClFNO2
Solubility
100mg/mL in DMSO(ultrasonic and warming and heat to 60°C)
InChIKey
LNEPOXFFQSENCJ-UHFFFAOYSA-N
Catalogue number
GC17599
Brand
GLPBIO
Computed properties PubChem CID 3559 · XLogP 3.2 · TPSA 40.5 Ų · H-bond donors 1
XLogP
3.2
TPSA
40.5 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
26

SMILES C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F

Computed descriptors from PubChem (CID 3559), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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