Trelagliptin
Bezeichnung:Trelagliptin
CAS-Nr865759-25-7
Englisch Name:Trelagliptin
CBNumberCB52628490
SummenformelC18H20FN5O2
Molgewicht357.38
MOL-Datei865759-25-7.mol
Trelagliptin physikalisch-chemischer Eigenschaften
| Siedepunkt | 519.0±60.0 °C(Predicted) |
| Dichte | 1.38±0.1 g/cm3(Predicted) |
| storage temp. | Store at -20°C |
| Löslichkeit | ≥11.6 mg/mL in DMSO; ≥3.68 mg/mL in EtOH with gentle warming and ultrasonic; ≥93.8 mg/mL in H2O |
| Aggregatzustand | solid |
| pka | 9.88±0.20(Predicted) |
| Farbe | 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 |
