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CHEBI:134731 - gemigliptin

Default Structure
ChEBI IDCHEBI:134731
ChEBI Namegemigliptin
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC18H19F8N5O2
Net Charge0
Average Mass489.367
Monoisotopic Mass489.14110
SMILESN[C@@H](CC(=O)N1CCc2c(nc(C(F)(F)F)nc2C(F)(F)F)C1)CN1CC(F)(F)CCC1=O
InChIInChI=1S/C18H19F8N5O2/c19-16(20)3-1-12(32)31(8-16)6-9(27)5-13(33)30-4-2-10-11(7-30)28-15(18(24,25)26)29-14(10)17(21,22)23/h9H,1-8,27H2/t9-/m0/s1
InChIKeyZWPRRQZNBDYKLH-VIFPVBQESA-N
ChEBI Ontology
Outgoing Relation(s)
gemigliptin (CHEBI:134731) has functional parent β-amino acid (CHEBI:33706)
gemigliptin (CHEBI:134731) is a organonitrogen compound (CHEBI:35352)
gemigliptin (CHEBI:134731) is a organooxygen compound (CHEBI:36963)
Synonyms  Source
LC15-0444DrugCentral
zemigloDrugCentral
Manual XrefsDatabases
4833DrugCentral
Registry NumbersSources
CAS:911637-19-9DrugCentral