Catalog No.: PI-44871
Synonym: 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]pyrazine phosphate;MK-0431;Sitagliptin phosphate monohydrate
Molecular Formula: C₁₆H₁₅F₆N₅O.H₃PO₄.H₂O
Molecular Weight: 523.33
CAS Number: 654671-77-9
MDL Number: MFCD19684081

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Appearance: White to Yellow Solid
Purity: 98.0%
Freezing/Melting Point: 216-219°C
Boiling Point: 529.9 °C at 760 mmHg
Flash Point:
Density:
nD20:
EINECS:
RTECS:
UN: not hazards for delivery
Beilatein:
HTS:
TSCA Inventory:
Storage: Store long-term at -20°C
Inchikey: GQPYTJVDPQTBQC-KLQYNRQASA-N
SMILES: FC(F)(F)c1[n]2c(nn1)CN(CC2)C(=O)C[C@H](N)Cc3c(cc(c(c3)F)F)F.[P](=O)(O)(O)O.O
InChl: 1S/C16H15F6N5O.H3O4P.H2O/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;1-5(2,3)4;/h4,6,9H,1-3,5,7,23H2;(H3,1,2,3,4);1H2/t9-;;/m1../s1