CHEBI:90949 - osimertinib(1+)

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ChEBI Name osimertinib(1+)
ChEBI ID CHEBI:90949
Definition An organic cation obtained by protonation of osimertinib.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C28H34N7O2
Net Charge +1
Average Mass 500.616
Monoisotopic Mass 500.27685
InChI InChI=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
InChIKey DUYJMQONPNNFPI-UHFFFAOYSA-O
SMILES CN1C=2C(C(C3=NC(NC4=C(OC)C=C(C(=C4)NC(C=C)=O)N(CCN(C)C)C)=NC=C3)=C1)=CC=CC2.[H+]
ChEBI Ontology
Outgoing 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 osimertinib mesylate (CHEBI:90948) has part osimertinib(1+) (CHEBI:90949)
osimertinib (CHEBI:90943) is conjugate base of osimertinib(1+) (CHEBI:90949)
Synonym Source
osimertinib cation ChEBI
Last Modified
25 September 2018