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CHEBI:71966 - BGT226(1+)

ChEBI IDCHEBI:71966
ChEBI NameBGT226(1+)
Stars
DefinitionAn organic cation obtained by protonation of the secondary amino group of 8-(6-methoxypyridin-3-yl)-3-methyl-1-[4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl]-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one.
Last Modified30 January 2013
SubmitterSteve
DownloadsMolfile
FormulaC28H26F3N6O2
Net Charge+1
Average Mass535.550
Monoisotopic Mass535.20639
SMILESCOc1ccc(-c2ccc3ncc4c(c3c2)n(-c2ccc(N3CC[NH2+]CC3)c(C(F)(F)F)c2)c(=O)n4C)cn1
InChIInChI=1S/C28H25F3N6O2/c1-35-24-16-33-22-6-3-17(18-4-8-25(39-2)34-15-18)13-20(22)26(24)37(27(35)38)19-5-7-23(21(14-19)28(29,30)31)36-11-9-32-10-12-36/h3-8,13-16,32H,9-12H2,1-2H3/p+1
InChIKeyBMMXYEBLEBULND-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
BGT226(1+) (CHEBI:71966) is a ammonium ion derivative (CHEBI:35274)
BGT226(1+) (CHEBI:71966) is a organic cation (CHEBI:25697)
BGT226(1+) (CHEBI:71966) is conjugate acid of BGT226 free base (CHEBI:71967)
Incoming Relation(s)
BGT226 (CHEBI:71953) has part BGT226(1+) (CHEBI:71966)
BGT226 free base (CHEBI:71967) is conjugate base of BGT226(1+) (CHEBI:71966)
IUPAC Name 
4-{4-[8-(6-methoxypyridin-3-yl)-3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl]-2-(trifluoromethyl)phenyl}piperazin-1-ium
Synonym  Source
BGT226 cationChEBI