Sitagliptin
Bezeichnung:Sitagliptin
CAS-Nr486460-32-6
Englisch Name:Sitagliptin
CBNumberCB01449778
SummenformelC16H15F6N5O
Molgewicht407.31
MOL-Datei486460-32-6.mol
Sitagliptin physikalisch-chemischer Eigenschaften
Schmelzpunkt | 114.1-115.7 °C |
Siedepunkt | 529.9±60.0 °C(Predicted) |
Dichte | 1.61±0.1 g/cm3(Predicted) |
storage temp. | Store at -20°C |
Löslichkeit | DMSO : ≥ 50 mg/mL (122.76 mM) |
Aggregatzustand | Solid |
pka | 7.20±0.10(Predicted) |
Farbe | White to off-white |
InChI | InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1 |
InChIKey | MFFMDFFZMYYVKS-SECBINFHSA-N |
SMILES | C(N1CCN2C(C(F)(F)F)=NN=C2C1)(=O)C[C@H](N)CC1=CC(F)=C(F)C=C1F |
CAS Datenbank | 486460-32-6(CAS DataBase Reference) |
EPA chemische Informationen | 1-Butanone, 3-amino-1-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-, (3R)- (486460-32-6) |