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化合物简介
基本信息
CAS:654671-77-9
中文别名:磷酸西他列汀;
英文别名:Sitagliptin phosphate hydrate;(2R)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine dihydrogenphosphate monohydrate;Sitagliptin monohydrate;Sitagliptin phosphate hydrate (jan);Sitagliptin phosphate (usan);3(R)-3-amino-1-[3-(trifluoromethyl)-5H,6H,7H,8H [1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one phosphate monohydrate;Januvia (tn);Sitagliptin phosphate for research;7-[(3R)-3-Amino-1-oxo-4-(2,4,5-trifluorophenyl)Butyl]-5,6,7,8-tetrahydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazinephosphatemonohydrate;
分子式:C16H20F6N5O6P
分子量:523.324
精确质量:523.106
Psa:173.84
Logp:1.6618
中文别名:磷酸西他列汀;
英文别名:Sitagliptin phosphate hydrate;(2R)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine dihydrogenphosphate monohydrate;Sitagliptin monohydrate;Sitagliptin phosphate hydrate (jan);Sitagliptin phosphate (usan);3(R)-3-amino-1-[3-(trifluoromethyl)-5H,6H,7H,8H [1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one phosphate monohydrate;Januvia (tn);Sitagliptin phosphate for research;7-[(3R)-3-Amino-1-oxo-4-(2,4,5-trifluorophenyl)Butyl]-5,6,7,8-tetrahydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazinephosphatemonohydrate;
分子式:C16H20F6N5O6P
分子量:523.324
精确质量:523.106
Psa:173.84
Logp:1.6618
编号系统
UNII:TS63EW8X6F
物化性质
沸点:529.9ºC at 760 mmHg
闪点:274.3ºC
闪点:274.3ºC
安全信息
海关编码:2933990090
生产方法及用途
用途
磷酸西他列汀新型降糖药二肽基肽酶-4。
磷酸西他列汀新型降糖药二肽基肽酶-4。
合成路线
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参考文献
Lin, Kuaile; Cai, Zhengyan; Zhou, Weicheng Synthetic Communications, 2013 , vol. 43, # 24 p. 3281 - 3286
上游原料
下游产品
图谱
Predict 1H proton NMR
13C NMR : Predict
1H NMR : Predict






