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Cinuperone

CAT: 0013-GTR19211329-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19211329-03Size:100 mg
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Description
Cinuperone is a D2, alpha1 adrenergic, and sigma receptor antagonist that selectively inhibits dopamine agonist-mediated behaviors in the limbic system. Its development as an antipsychotic was halted due to orthostatic hypotension. It is used in research to study dopaminergic pathways and receptor interactions in both in vitro and in vivo models.
CAS Number
82117-51-9
Smiles
C (CCC (=O) C1=CC=C (F) C=C1) N2CCN (C3=CC4=C (C=N3) C=CC=C4) CC2
Molecular Formula
C23H24FN3O
Molecular Weight
377.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cinuperone

Cinuperone is a small molecule drug. The usage of the INN stem '-perone' in the name indicates that Cinuperone is a tranquillizer, neuroleptic, 4'-fluoro-4-piperidinobutyrophenone derivative. Cinuperone has a monoisotopic molecular weight of 377.19 Da.

CAS Number82117-51-9
PubChem CID133832
IUPAC Name1-(4-fluorophenyl)-4-(4-isoquinolin-3-ylpiperazin-1-yl)butan-1-one
Molecular FormulaC23H24FN3O
Molecular Weight377.5
XLogP4.5
Topological Polar Surface Area36.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity500
SMILES
C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)C3=CC4=CC=CC=C4C=N3
InChI
InChI=1S/C23H24FN3O/c24-21-9-7-18(8-10-21)22(28)6-3-11-26-12-14-27(15-13-26)23-16-19-4-1-2-5-20(19)17-25-23/h1-2,4-5,7-10,16-17H,3,6,11-15H2
InChIKey
YLCFZLMWTUMGKY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cinuperone
CAS: 82117-51-9
CID: 133832
Formula: C23H24FN3O
MW: 377.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight377.5
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass377.19034056
Monoisotopic Mass377.19034056
Topological Polar Surface Area36.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity500
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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