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CHEBI:83809 - (S)-paliperidone palmitate

ChEBI IDCHEBI:83809
ChEBI Name(S)-paliperidone palmitate
Stars
ASCII Name(S)-paliperidone palmitate
DefinitionA 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 (S)-enantiomer of paliperidone palmitate.
Last Modified19 November 2014
SubmitterSteve
DownloadsMolfile
FormulaC39H57FN4O4
Net Charge0
Average Mass664.907
Monoisotopic Mass664.43638
SMILESCCCCCCCCCCCCCCCC(=O)O[C@H]1CCCn2c1nc(C)c(CCN1CCC(c3noc4cc(F)ccc34)CC1)c2=O
InChIInChI=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-/m0/s1
InChIKeyVOMKSBFLAZZBOW-UMSFTDKQSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-paliperidone palmitate (CHEBI:83809) 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)
(S)-paliperidone palmitate (CHEBI:83809) is enantiomer of (R)-paliperidone palmitate (CHEBI:83810)
Incoming Relation(s)
paliperidone palmitate (CHEBI:83807) has part (S)-paliperidone palmitate (CHEBI:83809)
(R)-paliperidone palmitate (CHEBI:83810) is enantiomer of (S)-paliperidone palmitate (CHEBI:83809)
IUPAC Name 
(9S)-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
(S)-paliperidone hexadecanoateChEBI