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Azaperone

CAT: 0607-B1668-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B1668-50Size:50 mg
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Description
Dopamine antagonist
CAS Number
1649-18-9
Product Name Alternative
1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
Purity
0.9982
Form
A solid
Solubility
insoluble in H2O; ≥10.88 mg/mL in EtOH with ultrasonic; ≥12.75 mg/mL in DMSO
Smiles
C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=N3
Molecular Formula
C19H22FN3O
Molecular Weight
327.4
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Azaperone

Azaperone is an N-arylpiperazine that is 2-(piperazin-1-yl)pyridine in which the amino hydrogen is replaced by a 3-(4-fluobenzoyl)propyl group. Used mainly as a tranquiliser for pigs and elephants. It has a role as an antipsychotic agent and a dopaminergic antagonist. It is an aminopyridine, a N-alkylpiperazine, a N-arylpiperazine, a tertiary amino compound, an aromatic ketone and a member of monofluorobenzenes.

CAS Number1649-18-9
PubChem CID15443
IUPAC Name1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
Molecular FormulaC19H22FN3O
Molecular Weight327.4
XLogP3.3
Topological Polar Surface Area36.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity390
SMILES
C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=N3
InChI
InChI=1S/C19H22FN3O/c20-17-8-6-16(7-9-17)18(24)4-3-11-22-12-14-23(15-13-22)19-5-1-2-10-21-19/h1-2,5-10H,3-4,11-15H2
InChIKey
XTKDAFGWCDAMPY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Azaperone
CAS: 1649-18-9
CID: 15443
Formula: C19H22FN3O
MW: 327.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight327.4
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass327.17469050
Monoisotopic Mass327.17469050
Topological Polar Surface Area36.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity390
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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