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CHEBI:90937 - alectinib(1+)

ChEBI IDCHEBI:90937
ChEBI Namealectinib(1+)
Stars
DefinitionAn organic cation obtained by protonation of alectinib.
Last Modified13 January 2016
SubmitterSteve
DownloadsMolfile
FormulaH.C30H34N4O2
Net Charge+1
Average Mass483.636
Monoisotopic Mass483.27545
SMILESCCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1nc3cc(C#N)ccc3c1C2=O.[H+]
InChIInChI=1S/C30H34N4O2/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29/h5-6,15-17,21,32H,4,7-14H2,1-3H3/p+1
InChIKeyKDGFLJKFZUIJMX-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
alectinib(1+) (CHEBI:90937) is a ammonium ion derivative (CHEBI:35274)
alectinib(1+) (CHEBI:90937) is a organic cation (CHEBI:25697)
alectinib(1+) (CHEBI:90937) is conjugate acid of alectinib (CHEBI:90936)
Incoming Relation(s)
alectinib hydrochloride (CHEBI:62268) has part alectinib(1+) (CHEBI:90937)
alectinib (CHEBI:90936) is conjugate base of alectinib(1+) (CHEBI:90937)
Synonym  Source
alectinib cationChEBI