CHEBI:83810 - (R)-paliperidone palmitate

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ChEBI Name (R)-paliperidone palmitate
ChEBI ID CHEBI:83810
ChEBI ASCII Name (R)-paliperidone palmitate
Definition A 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 that is the (R)-enantiomer of paliperidone palmitate.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C39H57FN4O4
Net Charge 0
Average Mass 664.89270
Monoisotopic Mass 664.43638
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/t34-/m1/s1
InChIKey VOMKSBFLAZZBOW-UUWRZZSWSA-N
SMILES CCCCCCCCCCCCCCCC(=O)O[C@@H]1CCCn2c1nc(C)c(CCN1CCC(CC1)c1noc3cc(F)ccc13)c2=O
ChEBI Ontology
Outgoing (R)-paliperidone palmitate (CHEBI:83810) is a 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 (CHEBI:83808)
(R)-paliperidone palmitate (CHEBI:83810) is enantiomer of (S)-paliperidone palmitate (CHEBI:83809)
Incoming paliperidone palmitate (CHEBI:83807) has part (R)-paliperidone palmitate (CHEBI:83810)
(S)-paliperidone palmitate (CHEBI:83809) is enantiomer of (R)-paliperidone palmitate (CHEBI:83810)
IUPAC Name
(9R)-3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-2-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-9-yl hexadecanoate
Synonym Source
(R)-paliperidone hexadecanoate ChEBI
Last Modified
19 November 2014