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Sitagliptin Phosphate

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For Research Use Only | Not For Clinical Use
CATAPS654671780
CAS654671-78-0
Structure
IUPAC Name(3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;phosphoric acid
Molecular Weight505.31
Molecular FormulaC16H15F6N5O.H3O4P
Canonical SMILESN[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc3cc(F)c(F)cc3F.OP(=O)(O)O
InChIInChI=1S/C16H15F6N5O.H3O4P/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
Accurate Mass505.095
FormatNeat
SubcategoryPharmaceutical, Chiral molecules, Enzyme inhibitors
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