| 英文别名 | 486460-32-6;Sitagliptin |
| CAS号 | 486460-32-6 |
| SMILES | c1c(c(cc(c1F)F)F)C[C@H](CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)N |
| 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 |
| 分子式 Formula | C16H15F6N5O |
| 分子量 Molecular Weight | 407.314 |
| 闪点 FP | 274.3±32.9 ℃ |
| 沸点 Boiling point | 529.9±60.0 ℃ at 760 mmHg |
| Polarizability极化度 | 33.8±0.5 10-24cm3 |
| 密度 Density | 1.6±0.1 g/cm3 |
| 蒸汽压 Vapor Pressure | 0.0±1.4 mmHg at 25℃ |
| 溶解度Solubility | 生物体外In Vitro:DMSO溶解度≥ 50 mg/mL(122.76 mM)*"≥" means soluble可溶, but saturation unknown溶解度未知. |
| 储藏条件 Storage conditions | storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years) |
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