1351564-28-7 ((Sitagliptin Impurity 209)

CAS号:
1351564-28-7
英文名称:
Sitagliptin Impurity 209
分子式:
C16H13F6N5O3
分子量:
437.296543836594

Sitagliptin Impurity 209(1351564-28-7)名称与标识符

名称

英文别名:
1-Butanone, 1-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-3-nitro-4-(2,4,5-trifluorophenyl)-;

标识符

InChIKey:
CYOUYFMRHIYDGJ-UHFFFAOYSA-N
Inchi:
1S/C16H13F6N5O3/c17-10-6-12(19)11(18)4-8(10)3-9(27(29)30)5-14(28)25-1-2-26-13(7-25)23-24-15(26)16(20,21)22/h4,6,9H,1-3,5,7H2
SMILES:
C(N1CCN2C(C(F)(F)F)=NN=C2C1)(=O)CC([N+]([O-])=O)CC1=CC(F)=C(F)C=C1F

Sitagliptin Impurity 209(1351564-28-7)物化性质

实验特性

  • 沸点 : 569.3±60.0 °C(Predicted)
  • 酸度系数(pKa) : 6.36±0.13(Predicted)
  • 密度 : 1.67±0.1 g/cm3(Predicted)