B1Q

(4S)-1-[(2S,3S,11bS)-2-amino-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-3-yl]-4-(fluoromethyl)pyrrolidin-2-one


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Chemical Component Summary

Name(4S)-1-[(2S,3S,11bS)-2-amino-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-3-yl]-4-(fluoromethyl)pyrrolidin-2-one
Identifiers(4S)-1-[(2S,3S,5R,11bS)-2-azanyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-3-yl]-4-(fluoromethyl)pyrrolidin-2-one
FormulaC20 H28 F N3 O3
Molecular Weight377.453
TypeNON-POLYMER
Isomeric SMILESCOc1cc2c(cc1OC)[C@@H]3C[C@@H]([C@H](C[N@]3CC2)N4C[C@H](CC4=O)CF)N
InChIInChI=1S/C20H28FN3O3/c1-26-18-6-13-3-4-23-11-17(24-10-12(9-21)5-20(24)25)15(22)8-16(23)14(13)7-19(18)27-2/h6-7,12,15-17H,3-5,8-11,22H2,1-2H3/t12-,15+,16+,17+/m1/s1
InChIKeyGUYMHFIHHOEFOA-ZCPGHIKRSA-N

Chemical Details

Formal Charge0
Atom Count55
Chiral Atom Count4
Bond Count58
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB12268 
NameCarmegliptin
Groups investigational
DescriptionCarmegliptin has been used in trials studying the treatment of Diabetes Mellitus Type 2.
SynonymsCarmegliptin
Categories
  • Agents causing angioedema
  • Blood Glucose Lowering Agents
  • Dipeptidyl Peptidase 4
  • DPP-IV Inhibitors
  • Heterocyclic Compounds, Fused-Ring
CAS number813452-18-5

Related Resource References

Resource NameReference
Pharos CHEMBL591118
PubChem 11417567
ChEMBL CHEMBL591118