CHEBI:134735 - omarigliptin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name omarigliptin
ChEBI ID CHEBI:134735
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C17H20F2N4O3S
Net Charge 0
Average Mass 398.429
Monoisotopic Mass 398.12242
InChI InChI=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
InChIKey MKMPWKUAHLTIBJ-ISTRZQFTSA-N
SMILES C1=C(C=CC(=C1[C@H]2OC[C@@H](C[C@@H]2N)N3CC=4C(C3)=NN(C4)S(C)(=O)=O)F)F
ChEBI Ontology
Outgoing omarigliptin (CHEBI:134735) is a pyrrolopyrazole (CHEBI:46866)
Synonyms Sources
marizev DrugCentral
Mk-3102 DrugCentral
MK3102 DrugCentral
Manual Xref Database
5054 DrugCentral
View more database links
Registry Number Type Source
1226781-44-7 CAS Registry Number DrugCentral
Last Modified
23 February 2017