(Q27139903)

alogliptin cation (English)

7 October 2016

chemical formula

C₁₈H₂₂N₅O₂⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CN1C(=O)C=C(N(C1=O)CC2=CC=CC=C2C#N)N3CCCC(C3)[NH3+]

1 reference

alogliptin cation (English)

7 October 2016

isomeric SMILES

CN1C(=O)C=C(N(C1=O)CC2=CC=CC=C2C#N)N3CCC[C@H](C3)[NH3+]

1 reference

alogliptin cation (English)

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

7 October 2016

Identifiers

InChI

1 reference

alogliptin cation (English)

ZSBOMTDTBDDKMP-OAHLLOKOSA-O

7 October 2016

InChIKey

2 references

alogliptin cation (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(3R)-1-[3-(2-Cyanobenzyl)-1-methyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl]-3-piperidinaminium (English)

7 October 2016

1 reference

alogliptin cation (English)

7 October 2016

ChEBI ID

72326

mapping relation type

1 reference