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CHEBI:136043 - anagliptin

Default Structure
ChEBI IDCHEBI:136043
ChEBI Nameanagliptin
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC19H25N7O2
Net Charge0
Average Mass383.456
Monoisotopic Mass383.20697
SMILESCc1cc2ncc(C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N)cn2n1
InChIInChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1
InChIKeyLDXYBEHACFJIEL-HNNXBMFYSA-N
ChEBI Ontology
Outgoing Relation(s)
anagliptin (CHEBI:136043) is a amino acid amide (CHEBI:22475)
Synonyms  Source
anagliptin HClDrugCentral
anagliptin hydrochlorideDrugCentral
beskoaDrugCentral
suinyDrugCentral
Manual XrefsDatabases
4896DrugCentral
Registry NumbersSources
CAS:739366-20-2DrugCentral