CHEBI:72326 - alogliptin(1+)

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ChEBI Name alogliptin(1+) ChEBI ID CHEBI:72326 Definition An organic cation obtained by protonation of the primary amino function of alogliptin. 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 C18H22N5O2 Net Charge +1 Average Mass 340.39960 Monoisotopic Mass 340.17680 InChI InChI=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 InChIKey ZSBOMTDTBDDKMP-OAHLLOKOSA-O SMILES Cn1c(=O)cc(N2CCC[C@@H]([NH3+])C2)n(Cc2ccccc2C#N)c1=O ChEBI Ontology Outgoing 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 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 cation ChEBI Last Modified 11 February 2013