| Identification | Back Directory |  [Name]
  Sitagliptin DeaMino IMpurity 1 |  [CAS]
  1253056-18-6 |  [Synonyms]
  Impurity FP-D Sitagliptin iMpurity S Sitagliptin Impurity 01 Sitagliptin FP Impurity D Sitagliptin Impurity FP-D Sitagliptin EP Impurity 13 Sitagliptin EP Impurity FP-D Sitagliptin DeaMino IMpurity 1 3-Desamino-2,3-dehydro Sitagliptin Sitagliptin phenyl crotonyl analog Sitagliptin USPPhenylcrotonyl Analog (E)-1-(3-(trifluoromethyl)-5,6-dihydro (2E)-1-[5,6-Dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-2-buten-1-one (E)-1-(3-(trifluoroMethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)but-2-en-1-one 2-Buten-1-one, 1-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-, (2E)- (E)-1-(3-(Trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)but-2-en-1-one (Sitagliptin Impurity) Sitagliptin impurity 8/Sitagliptin FP Impurity D/3-Desamino-2,3-Dehydro Sitagliptin/(2E)-1-[3-(Trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)but-2-en-1-one |  [EINECS(EC#)]
  604-604-1 |  [Molecular Formula]
  C16H12F6N4O |  [MDL Number]
  MFCD28972394 |  [MOL File]
  1253056-18-6.mol |  [Molecular Weight]
  390.28 |  
 | Chemical Properties | Back Directory |  [Boiling point ]
  517.5±60.0 °C(Predicted) |  [density ]
  1.52±0.1 g/cm3(Predicted) |  [storage temp. ]
  Hygroscopic, -20°C Freezer, Under inert atmosphere |  [solubility ]
  DMSO (Slightly), Methanol |  [form ]
  Solid |  [pka]
  -0.06±0.20(Predicted) |  [color ]
  Colourless to Pale Yellow Gel to Waxy |  [Stability:]
  Hygroscopic |  [InChI]
  InChI=1S/C16H12F6N4O/c17-10-7-12(19)11(18)6-9(10)2-1-3-14(27)25-4-5-26-13(8-25)23-24-15(26)16(20,21)22/h1,3,6-7H,2,4-5,8H2/b3-1+ |  [InChIKey]
  QSSHJJFVCWMIKH-HNQUOIGGSA-N |  [SMILES]
  C(N1CCN2C(C(F)(F)F)=NN=C2C1)(=O)/C=C/CC1=CC(F)=C(F)C=C1F |  
 | Hazard Information | Back Directory |  [Uses]
  3-Desamino-2,3-dehydro Sitagliptin is an impurity of Sitagliptin (S491000); a trizolopyrazine dipeptidyl peptidase IV inhibitor. Sitagliptin has recently been approved for the therapy of type II diabetes. |  
  
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