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Chemical structure of Haloperidol D4

GC36209

Haloperidol D4

Also known as 4-[4-(4-chloro-2,3,5,6-tetradeuteriophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one

Haloperidol D4 is deuterium labeled haloperidol, and the latter is a potent dopamine D2 receptor antagonist

ChemicalCAS1189986-59-1MW379.89FormulaC21H19D4ClFNO2
CAS number
1189986-59-1
Molecular weight
379.89
Formula
C21H19D4ClFNO2
Solubility
Chloroform： Slightly Soluble,Methanol： Slightly Soluble
InChIKey
LNEPOXFFQSENCJ-KDWZCNHSSA-N
Catalogue number
GC36209
Brand
GLPBIO
Computed properties PubChem CID 45039377 · 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 [2H]C1=C(C(=C(C(=C1C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)O)[2H])[2H])Cl)[2H]

Computed descriptors from PubChem (CID 45039377), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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