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CHEBI:229235 - ritlecitinib(1+)

ChEBI IDCHEBI:229235
ChEBI Nameritlecitinib(1+)
Stars
DefinitionAn organic cation that is the conjugate acid of ritlecitinib resulting from the protonation of the nitrogen in the pyrrolopyrimidine ring; Major species at pH 7.3.
Last Modified18 January 2024
SubmitterAdnan
DownloadsMolfile
FormulaC15H20N5O
Net Charge+1
Average Mass286.359
Monoisotopic Mass286.16624
SMILESC=CC(=O)N1C[C@H](Nc2[nH+]cnc3nccc23)CC[C@@H]1C
InChIInChI=1S/C15H19N5O/c1-3-13(21)20-8-11(5-4-10(20)2)19-15-12-6-7-16-14(12)17-9-18-15/h3,6-7,9-11H,1,4-5,8H2,2H3,(H2,16,17,18,19)/p+1/t10-,11+/m0/s1
InChIKeyCBRJPFGIXUFMTM-WDEREUQCSA-O
ChEBI Ontology
Outgoing Relation(s)
ritlecitinib(1+) (CHEBI:229235) is a organic cation (CHEBI:25697)
ritlecitinib(1+) (CHEBI:229235) is conjugate acid of ritlecitinib (CHEBI:229233)
Incoming Relation(s)
ritlecitinib tosylate (CHEBI:229234) has part ritlecitinib(1+) (CHEBI:229235)
ritlecitinib (CHEBI:229233) is conjugate base of ritlecitinib(1+) (CHEBI:229235)
IUPAC Name 
4-{[(3R,6S)-6-methyl-1-(prop-2-enoyl)piperidin-3-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-3-ium
Synonym  Source
ritlecitinib cationChEBI