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CHEBI:83806 - (R)-paliperidone

ChEBI IDCHEBI:83806
ChEBI Name(R)-paliperidone
Stars
ASCII Name(R)-paliperidone
DefinitionA 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 that is the (R)-enantiomer of paliperidone.
Last Modified19 November 2014
SubmitterSteve
DownloadsMolfile
FormulaC23H27FN4O3
Net Charge0
Average Mass426.492
Monoisotopic Mass426.20672
SMILESCc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCC[C@H]2O
InChIInChI=1S/C23H27FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3/t19-/m1/s1
InChIKeyPMXMIIMHBWHSKN-LJQANCHMSA-N
ChEBI Ontology
Outgoing Relation(s)
(R)-paliperidone (CHEBI:83806) is a 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 (CHEBI:83804)
(R)-paliperidone (CHEBI:83806) is enantiomer of (S)-paliperidone (CHEBI:83805)
Incoming Relation(s)
paliperidone (CHEBI:82978) has part (R)-paliperidone (CHEBI:83806)
(S)-paliperidone (CHEBI:83805) is enantiomer of (R)-paliperidone (CHEBI:83806)
IUPAC Name 
(9R)-3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
Registry NumbersSources
Reaxys:14642853Reaxys