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Chemical structure of Haloperidol-d4-1

GC70921

Haloperidol-d4-1

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

Haloperidol-d4-1 is deuterium labeled haloperidol, and the latter is a potent dopamine D2 receptor antagonist

ChemicalCAS136765-35-0MW379.89FormulaC21H19D4ClFNO2
CAS number
136765-35-0
Molecular weight
379.89
Formula
C21H19D4ClFNO2
Solubility
DMSO ： 100 mg/mL (263·23 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
LNEPOXFFQSENCJ-AKPGVGPLSA-N
Catalogue number
GC70921
Brand
GLPBIO
Computed properties PubChem CID 45358996 · 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(=C1C(=O)CCCN2CCC(CC2)(C3=CC=C(C=C3)Cl)O)[2H])[2H])F)[2H]

Computed descriptors from PubChem (CID 45358996), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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