ChemicalBook--->CAS DataBase List--->823817-58-9

823817-58-9

823817-58-9 Structure

823817-58-9 Structure
IdentificationBack Directory
[Name]

(S)-Sitagliptin Phosphate
[CAS]

823817-58-9
[Synonyms]

7-[(3S)-3-Amino-1-oxo
(S)-MK-0431 phosphate
Sitagliptin enantiomer
Sitagliptin EP Impurity E
ent-Sitagliptin Phosphate
(S)-Sitagliptin Phosphate
ent-Sitagliptin-d4 Phosphate
Sitagliptin S-Isomer Phosphate
Sitagliptin Impurity E Phosphate
Sitagliptin EP Impurity A Phosphate
Sitagliptin (S)-IsoMer Phosphate Salt
Sitagliptin S-isomer (Enantiomer)Imp-A
"Sitagliptin phosphate impurity A (phosphate)"
Sitagliptin (S)-Isomer Phosphate salt/Sitagliptin EP Impurity A
Sitagliptin Impurity E Phosphate (Sitagliptin S-Isomer Phosphate)
(S)-3-amino-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-onephosphate
7-[(3S)-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
7-[(3S)-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-d4 Phosphate
7-[(3S)-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 (1:1)
1,2,4-Triazolo[4,3-a]pyrazine,7-[(3S)-3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-5,6,7,8-tetrahydro-3-(trifluoromethyl)-, phosphate (1:1)
Sitagliptin impurity 2/Sitagliptin EP Impurity A Phosphate/(S)-3-Amino-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one, phosphate (1:1)
[Molecular Formula]

C16H16F6N5O5P
[MDL Number]

MFCD18433406
[MOL File]

823817-58-9.mol
[Molecular Weight]

503.293
Chemical PropertiesBack Directory
[Melting point ]

193-195°C
[storage temp. ]

-20°C Freezer
[solubility ]

DMSO (Slightly), Methanol (Slightly), Water (Slightly)
[form ]

Solid
[color ]

White to Off-White
[Major Application]

pharmaceutical
[InChI]

1S/C16H15F6N5O.HO4P.H2/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;1-4-5(2)3;/h4,6,9H,1-3,5,7,23H2;1H;1H/t9-;;/m0../s1
[InChIKey]

SHWZYHNHAUKDOV-WWPIYYJJSA-N
[SMILES]

c1(F)c(F)cc(C[C@@H](N)CC(=O)N2Cc3nn-c(C(F)(F)F)[n]-3CC2)c(F)c1.P(OO)(=O)=O |&1:7,r|
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Skin Irrit. 2
Hazard InformationBack Directory
[Uses]

ent-Sitagliptin Phosphate (Sitagliptin EP Impurity A) is the S-isomer of Sitagliptin Phosphate (S491000), as an impurity.
[Uses]

Labelled ent-Sitagliptin Phosphate (S491025). ent-Sitagliptin Phosphate is the S-isomer of Sitagliptin Phosphate (S491000), as an impurity.
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