CHEBI:90854 - cobimetinib(1+)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name cobimetinib(1+) ChEBI ID CHEBI:90854 Definition An organic cation obtained by protonation of the secondary amino group of cobimetinib. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C21H22F3IN3O2 Net Charge +1 Average Mass 532.319 Monoisotopic Mass 532.07033 InChI InChI=1S/C21H21F3IN3O2/c22-14-6-5-13(19(18(14)24)27-16-7-4-12(25)9-15(16)23)20(29)28-10-21(30,11-28)17-3-1-2-8-26-17/h4-7,9,17,26-27,30H,1-3,8,10-11H2/p+1/t17-/m0/s1 InChIKey BSMCAPRUBJMWDF-KRWDZBQOSA-O SMILES C1=C(C(=C(C(=C1)C(N2CC(C2)(O)[C@H]3[NH2+]CCCC3)=O)NC4=CC=C(C=C4F)I)F)F ChEBI Ontology Outgoing cobimetinib(1+) (CHEBI:90854) is a ammonium ion derivative (CHEBI:35274) cobimetinib(1+) (CHEBI:90854) is a organic cation (CHEBI:25697) cobimetinib(1+) (CHEBI:90854) is conjugate acid of cobimetinib (CHEBI:90851) Incoming cobimetinib fumarate (CHEBI:90853) has part cobimetinib(1+) (CHEBI:90854) cobimetinib (CHEBI:90851) is conjugate base of cobimetinib(1+) (CHEBI:90854) IUPAC Name (2S)-2-{1-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoyl]-3-hydroxyazetidin-3-yl}piperidin-1-ium Synonym Source cobimetinib cation ChEBI Last Modified 07 January 2016