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Paliperidone palmitate (Standard)

CAT: 0804-HY-A0019AR-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-A0019AR-01Size:5 mg
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Description
Paliperidone palmitate (Standard) is the analytical standard of Paliperidone palmitate. This product is intended for research and analytical applications. Paliperidone palmitate is an orally effective competitive antagonist of dopamine D2 receptors and 5-hydroxytryptamine 2A (5-HT2A) receptors that can cross the blood-brain barrier. Paliperidone palmitate competitively inhibits the effects of dopamine and 5-hydroxytryptamine by binding to dopamine D2 receptors and 5-HT2A receptors, regulating the balance of the neurotransmitter system and thus exerting antipsychotic activity. Paliperidone palmitate is mainly used in the research field of schizophrenia[1][2][3].
CAS Number
199739-10-1
UNSPSC
12352100
Target
5-HT Receptor; Dopamine Receptor; Reference Standards
Related Pathways
GPCR/G Protein; Neuronal Signaling; Others
Field of Research
Neurological Disease
Smiles
O=C(OC1CCCN(C1=NC(C)=C2CCN3CCC(C4=NOC5=C4C=CC(F)=C5)CC3)C2=O)CCCCCCCCCCCCCCC
Molecular Formula
C39H57FN4O4
Molecular Weight
664.89
References & Citations
[1]Darville N, et al. The effect of macrophage and angiogenesis inhibition on the drug release and absorption from an intramuscular sustained-release paliperidone palmitate suspension. J Control Release. 2016 May 28;230:95-108.|[2]Pertinez H, et al. Hyaluronidase impacts exposures of long-acting injectable paliperidone palmitate in rodent models. bioRxiv [Preprint]. 2024 Mar 6:2024.03.03.583160.|[3]Kwon JS, et al. Satisfaction of immediate or delayed switch to paliperidone palmitate in patients unsatisfied with current oral atypical antipsychotics. Int Clin Psychopharmacol. 2015;30 (6) :320-328.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Paliperidone Palmitate

3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl hexadecanoate is a fatty acid ester obtained by the formal condensation of the carboxy group of hexadecanoic acid with the hydroxy group of 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one. It is a fatty acid ester, an organofluorine compound, a pyridopyrimidine, a heteroarylpiperidine and a member of 1,2-benzoxazoles.

CAS Number199739-10-1
PubChem CID9852746
IUPAC Name[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl] hexadecanoate
Molecular FormulaC39H57FN4O4
Molecular Weight664.9
XLogP10.1
Topological Polar Surface Area88.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count20
Heavy Atom Count48
Formal Charge0
Complexity1090
SMILES
CCCCCCCCCCCCCCCC(=O)OC1CCCN2C1=NC(=C(C2=O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F)C
InChI
InChI=1S/C39H57FN4O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-36(45)47-34-17-16-24-44-38(34)41-29(2)32(39(44)46)23-27-43-25-21-30(22-26-43)37-33-20-19-31(40)28-35(33)48-42-37/h19-20,28,30,34H,3-18,21-27H2,1-2H3
InChIKey
VOMKSBFLAZZBOW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Paliperidone Palmitate
CAS: 199739-10-1
CID: 9852746
Formula: C39H57FN4O4
MW: 664.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight664.9
XLogP310.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count20
Exact Mass664.43638447
Monoisotopic Mass664.43638447
Topological Polar Surface Area88.2 Ų
Heavy Atom Count48
Formal Charge0
Complexity1090
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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