English name: Vildagliptin
CAS number: 274901-16-5
Molecular formula: C17H25N3O2
Molecular weight: 303.4
EINECS number: 630-410-0
MDL No. : MFCD08275142
Stats
Melting point 153-155? C
Specific rotation -78.3° (c = 9.73 in methanol)
Boiling point 531.3±50.0 °C(Predicted)
Density 1.27
Flash point 275.1 ° C
Storage conditions Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
Solubility in DMSO (up to 45 mg/ml), in DMF (up to 20 mg/ml), or in Ethanol (up to 20 mg/ml).
Acidity coefficient (pKa)15.05±0.40(Predicted)
Form solid
Color White
Stable for 2 years from date of purchase as supplied. Solutions in DMSO, DMF, or ethanol may be stored at -20°C for up to 3 months
InChIInChI = 1 s/C17H25N3O2 / c18-9-14-2-9-14-2 (14) and 15 (21) 10-19-16-10-19-16-13 (6-16) 8-17 (22, 7-12) 11-16 / h12-14,19,22 H, 1-8 -, 10-11 h2 /t12? And 13? , 14 and 16? , 17? /m0/s1
InChIKeySYOKIDBDQMKNDQ-XWTIBIIYSA-N
SMILESN1(C(CNC23CC4CC(CC(O)(C4)C2)C3)=O)CCC[C@H]1C#N
Safety information
GHS hazard pictograms GHS Hazard pictograms
GHS07
Warning word
Hazard Description H302-H315-H319-H332-H335
Defense Description P261-P280-P305+P351+P338
Hazard category code 28-38-41-48
Safety Instructions 24/25-26-28-36/37/39
Dangerous goods Transport number 3077
Customs Code 29339900