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Chemical structure of Paliperidone palmitate

GC61167

Paliperidone palmitate

Also known as [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

Paliperidone palmitate (9-Hydroxyrisperidone palmitate), an atypical long-acting antipsychotic agent, is an ester prodrug of Paliperidone

ChemicalCAS199739-10-1MW664.89FormulaC39H57FN4O4
CAS number
199739-10-1
Molecular weight
664.89
Formula
C39H57FN4O4
Solubility
Ethanol : 2 mg/mL (3·01 mM; Need ultrasonic)
InChIKey
VOMKSBFLAZZBOW-UHFFFAOYSA-N
Catalogue number
GC61167
Brand
GLPBIO
Computed properties PubChem CID 9852746 · XLogP 10.1 · TPSA 88.2 Ų · H-bond donors 0
XLogP
10.1
TPSA
88.2 Ų
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
20
Heavy atoms
48

SMILES CCCCCCCCCCCCCCCC(=O)OC1CCCN2C1=NC(=C(C2=O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F)C

Computed descriptors from PubChem (CID 9852746), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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