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CHEBI:85998 - lenvatinib(1+)

ChEBI IDCHEBI:85998
ChEBI Namelenvatinib(1+)
Stars
DefinitionA quinolinium ion obtained by protonation of the quinoline nitrogen of lenvatinib.
Last Modified20 May 2017
SubmitterSteve
DownloadsMolfile
FormulaC21H20ClN4O4
Net Charge+1
Average Mass427.868
Monoisotopic Mass427.11676
SMILESCOc1cc2[nH+]ccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O
InChIInChI=1S/C21H19ClN4O4/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28)/p+1
InChIKeyWOSKHXYHFSIKNG-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
lenvatinib(1+) (CHEBI:85998) is a quinolinium ion (CHEBI:52837)
lenvatinib(1+) (CHEBI:85998) is conjugate acid of lenvatinib (CHEBI:85994)
Incoming Relation(s)
lenvatinib mesylate (CHEBI:85995) has part lenvatinib(1+) (CHEBI:85998)
lenvatinib (CHEBI:85994) is conjugate base of lenvatinib(1+) (CHEBI:85998)
IUPAC Name 
6-carbamoyl-4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinolin-1-ium
Synonym  Source
lenvatinib cationChEBI