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CHEBI:134735 - omarigliptin

ChEBI IDCHEBI:134735
ChEBI Nameomarigliptin
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC17H20F2N4O3S
Net Charge0
Average Mass398.435
Monoisotopic Mass398.12242
SMILESCS(=O)(=O)n1cc2c(n1)CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2
InChIInChI=1S/C17H20F2N4O3S/c1-27(24,25)23-7-10-6-22(8-16(10)21-23)12-5-15(20)17(26-9-12)13-4-11(18)2-3-14(13)19/h2-4,7,12,15,17H,5-6,8-9,20H2,1H3/t12-,15+,17-/m1/s1
InChIKeyMKMPWKUAHLTIBJ-ISTRZQFTSA-N
ChEBI Ontology
Outgoing Relation(s)
omarigliptin (CHEBI:134735) is a pyrrolopyrazole (CHEBI:46866)
Synonyms  Source
Mk-3102DrugCentral
marizevDrugCentral
MK3102DrugCentral
Manual XrefsDatabases
5054DrugCentral
Registry NumbersSources
CAS:1226781-44-7DrugCentral