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CHEBI:72326 - alogliptin(1+)

ChEBI IDCHEBI:72326
ChEBI Namealogliptin(1+)
Stars
DefinitionAn organic cation obtained by protonation of the primary amino function of alogliptin.
Last Modified11 February 2013
SubmitterSteve
DownloadsMolfile
FormulaC18H22N5O2
Net Charge+1
Average Mass340.407
Monoisotopic Mass340.17680
SMILESCn1c(=O)cc(N2CCC[C@@H]([NH3+])C2)n(Cc2ccccc2C#N)c1=O
InChIInChI=1S/C18H21N5O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3/p+1/t15-/m1/s1
InChIKeyZSBOMTDTBDDKMP-OAHLLOKOSA-O
ChEBI Ontology
Outgoing Relation(s)
alogliptin(1+) (CHEBI:72326) is a ammonium ion derivative (CHEBI:35274)
alogliptin(1+) (CHEBI:72326) is a organic cation (CHEBI:25697)
alogliptin(1+) (CHEBI:72326) is conjugate acid of alogliptin (CHEBI:72323)
Incoming Relation(s)
alogliptin benzoate (CHEBI:72324) has part alogliptin(1+) (CHEBI:72326)
alogliptin (CHEBI:72323) is conjugate base of alogliptin(1+) (CHEBI:72326)
IUPAC Name 
(3R)-1-[3-(2-cyanobenzyl)-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]piperidin-3-aminium
Synonym  Source
alogliptin cationChEBI