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CHEBI:90949 - osimertinib(1+)

ChEBI IDCHEBI:90949
ChEBI Nameosimertinib(1+)
Stars
DefinitionAn organic cation obtained by protonation of osimertinib.
Last Modified25 September 2018
SubmitterSteve
DownloadsMolfile
FormulaH.C28H33N7O2
Net Charge+1
Average Mass500.627
Monoisotopic Mass500.27685
SMILESC=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C.[H+]
InChIInChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)/p+1
InChIKeyDUYJMQONPNNFPI-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
osimertinib(1+) (CHEBI:90949) is a ammonium ion derivative (CHEBI:35274)
osimertinib(1+) (CHEBI:90949) is a organic cation (CHEBI:25697)
osimertinib(1+) (CHEBI:90949) is conjugate acid of osimertinib (CHEBI:90943)
Incoming Relation(s)
osimertinib mesylate (CHEBI:90948) has part osimertinib(1+) (CHEBI:90949)
osimertinib (CHEBI:90943) is conjugate base of osimertinib(1+) (CHEBI:90949)
Synonym  Source
osimertinib cationChEBI