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
Molecular Identity
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
PubChem CID: 9852746
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.
2D Structure
Properties
C39H57FN4O4
Molecular Formula
664.90
Molecular Weight
g/mol
664.4364
Exact Mass
Da
10.1
XLogP
Above Lipinski threshold
88.2
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
8
H-Bond Acceptors
1090
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Paliperidone Palmitate199739-10-1Invega SustennaxeplionInvega TrinzaRo 92670RO92670R8P8USM8FRRo-92670ERZOFRIJNS010JNS-010Hexadecanoic acid, 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl esterPALIPERIDONE JANSSENHexadecanoic acid, 3-(2-(4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)ethyl)-6,7,8,9-tetrahydro-2-methyl-4-oxo-4H-pyrido(1,2-a)pyrimidin-9-yl ester
Data from PubChem (NCBI)
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