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Haloperidol Decanoate

CAT: 0957-S9469-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-S9469-02Size:5 mg
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Description
Haloperidol decanoate (Halomonth) is a depot form of haloperidol with antipsychotic activity. It has potential to be used in the research of schizophrenia and schizoaffective disorder.
CAS Number
74050-97-8
Synonyms
Halomonth
Target
Dopamine Receptor
Activity
Neuronal Signaling
Molecular Formula
C31H41ClFNO3

Chemical Information

Haloperidol Decanoate

Haloperidol decanoate is an organic molecular entity.

CAS Number74050-97-8
PubChem CID52919
IUPAC Name[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] decanoate
Molecular FormulaC31H41ClFNO3
Molecular Weight530.1
XLogP7.9
Topological Polar Surface Area46.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count16
Heavy Atom Count37
Formal Charge0
Complexity665
SMILES
CCCCCCCCCC(=O)OC1(CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C31H41ClFNO3/c1-2-3-4-5-6-7-8-11-30(36)37-31(26-14-16-27(32)17-15-26)20-23-34(24-21-31)22-9-10-29(35)25-12-18-28(33)19-13-25/h12-19H,2-11,20-24H2,1H3
InChIKey
GUTXTARXLVFHDK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Haloperidol Decanoate
CAS: 74050-97-8
CID: 52919
Formula: C31H41ClFNO3
MW: 530.1
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight530.1
XLogP37.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count16
Exact Mass529.2759000
Monoisotopic Mass529.2759000
Topological Polar Surface Area46.6 Ų
Heavy Atom Count37
Formal Charge0
Complexity665
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