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CHEBI:134715 - trelagliptin

ChEBI IDCHEBI:134715
ChEBI Nametrelagliptin
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC18H20FN5O2
Net Charge0
Average Mass357.389
Monoisotopic Mass357.16010
SMILESCn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2C#N)c1=O
InChIInChI=1S/C18H20FN5O2/c1-22-17(25)8-16(23-6-2-3-15(21)11-23)24(18(22)26)10-13-7-14(19)5-4-12(13)9-20/h4-5,7-8,15H,2-3,6,10-11,21H2,1H3/t15-/m1/s1
InChIKeyIWYJYHUNXVAVAA-OAHLLOKOSA-N
ChEBI Ontology
Outgoing Relation(s)
trelagliptin (CHEBI:134715) is a benzenes (CHEBI:22712)
trelagliptin (CHEBI:134715) is a nitrile (CHEBI:18379)
Synonyms  Source
SYR111472DrugCentral
zafatekDrugCentral
SYR-472DrugCentral
trelagliptin succinateDrugCentral
Manual XrefsDatabases
5013DrugCentral
Registry NumbersSources
CAS:865759-25-7DrugCentral