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Haloperidol-d4

CAT: 0804-HY-14538SSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-14538SSize:2.5 mg
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Description
Haloperidol-d4 is deuterium labeled haloperidol, and the latter is a potent dopamine D2 receptor antagonist.
CAS Number
1189986-59-1
UNSPSC
12352005
Hazard Statement
H301
Target
Dopamine Receptor
Type
Isotope-Labeled Compounds
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Solubility
10 mM in DMSO
Smiles
ClC1=C([2H])C([2H])=C(C2(O)CCN(CCCC(C3=CC=C(F)C=C3)=O)CC2)C([2H])=C1[2H]
Molecular Formula
C21H19D4ClFNO2
Molecular Weight
379.89
Precautions
H301
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported
Isoform
D2 Receptor

Chemical Information

4-(4-(4-Chloro(~2~H_4_)phenyl)-4-hydroxypiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one
CAS Number1189986-59-1
PubChem CID45039377
IUPAC Name4-[4-(4-chloro-2,3,5,6-tetradeuteriophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
Molecular FormulaC21H23ClFNO2
Molecular Weight379.9
XLogP3.2
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity451
SMILES
[2H]C1=C(C(=C(C(=C1C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)O)[2H])[2H])Cl)[2H]
InChI
InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2/i5D,6D,7D,8D
InChIKey
LNEPOXFFQSENCJ-KDWZCNHSSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-(4-Chloro(~2~H_4_)phenyl)-4-hydroxypiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one
CAS: 1189986-59-1
CID: 45039377
Formula: C21H23ClFNO2
MW: 379.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight379.9
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass379.1652418
Monoisotopic Mass379.1652418
Topological Polar Surface Area40.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity451
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-14538-01Haloperidol
HY-14538S3-01Haloperidol-13C6
HY-14538A-01Haloperidol (hydrochloride)
HY-14538R-01Haloperidol (Standard)
HY-107969-01Haloperidol decanoate
HY-137546-01Reduced Haloperidol
HY-14538BHaloperidol (lactate)
HY-107969RHaloperidol decanoate (Standard)
HY-151912S-01Picolinafen-d4 (4-Fluorophenyl-d4)
HY-151892SGlimepiride-d4 (phenylethyl-α, α, β, β-d4) (cis/trans)

Alternative Products

CatalogName
T11536-01Haloperidol (D4')
RM-H121627-01Haloperidol-D4
T11535Haloperidol D4
MBS3846394-01Haloperidol D4'
CS-O-06657Haloperidol-d4[Fluorophenyl-d4]
CS-T-78293Haloperidol-d4 Decanoate
A21971-1Haloperidol D4' 1mg
AR-H01026-01Reduced Haloperidol-d4
A21961-5Haloperidol D4 5mg
A21961-1Haloperidol D4 1mg

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