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865759-25-7

Name Trelagliptin
CAS 865759-25-7
EINECS(EC#) 1592732-453-0
Molecular Formula C18H20FN5O2
MDL Number MFCD22572746
Molecular Weight 357.382
MOL File 865759-25-7.mol

Chemical Properties

Boiling point  519.0±60.0 °C(Predicted)
density  1.38±0.1 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  ≥11.6 mg/mL in DMSO; ≥3.68 mg/mL in EtOH with gentle warming and ultrasonic; ≥93.8 mg/mL in H2O
form  solid
pka 9.88±0.20(Predicted)
color  White to off-white
InChI InChI=1S/C18H20FN5O2/c1-22-17(25)8-16(23-6-2-3-15(21)11-23)24(18(22)26)10-13-7-14(19)5-4-12(13)9-20/h4-5,7-8,15H,2-3,6,10-11,21H2,1H3/t15-/m1/s1
InChIKey IWYJYHUNXVAVAA-OAHLLOKOSA-N
SMILES C(#N)C1=CC=C(F)C=C1CN1C(=O)N(C)C(=O)C=C1N1CCC[C@@H](N)C1

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