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ChemicalBook--->CAS DataBase List--->2088771-61-1

2088771-61-1

2088771-61-1 Structure

2088771-61-1 Structure
IdentificationBack Directory
[Name]

(R)-10-(2,4,5-trifluorobenzyl)-3-(trifluoromethyl)-6,7,10,11-tetrahydro-[1,2,4]triazolo[3,4-c][1,4,7]triazecine-8,12(5H,9H)-dione
[CAS]

2088771-61-1
[Synonyms]

Impurity FP-B
Sitagliptin-17
Sitagliptin Impurity 20
Sitagliptin Impurity FP-B
Sitagliptin FP Impurity B
(R)-10-(2,4,5-trifluorobenzyl)-3-(trifluoromethyl)
Sitagliptin FP Impurity B/ Sitagliptin Triazecine Analog
(R)-10-(2,4,5-trifluorobenzyl)-3-(trifluoromethyl)-6,7,10,11-tetrahydro-[1,2,4]triazolo[3,4-c][1,4,7]triazecine-8,12(5H,9H)-dione
1,2,4-Triazolo[3,4-c][1,4,7]triazecine-8,12(5H,9H)-dione, 6,7,10,11-tetrahydro-3-(trifluoromethyl)-10-[(2,4,5-trifluorophenyl)methyl]-, (10R)-
(10R)?- 6,?7,?10,?11-?Tetrahydro-?3-?(trifluoromethyl)?-?10-?[(2,?4,?5-?trifluorophenyl)?methyl]?-1,?2,?4-?triazolo[3,?4-?c]?[1,?4,?7]?triazecine-?8,?12(5H,?9H)?-?dione
Sitagliptin impurity 6/Sitagliptin FP Impurity B/Sitagliptin Triazecine Analog/10-(2,4,5-Trifluorobenzyl)-3-(trifluoromethyl)-6,7,10,11-tetrahydro [1,2,4] triazolo [3,4-c][1,4,7]triazecine-8,12(5H,9H)-dione
[Molecular Formula]

C16H13F6N5O2
[MDL Number]

MFCD32669788
[MOL File]

2088771-61-1.mol
[Molecular Weight]

421.3
Chemical PropertiesBack Directory
[Melting point ]

>189°C (dec.)
[density ]

1.67±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer, Under inert atmosphere
[solubility ]

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

Solid
[pka]

12.02±0.40(Predicted)
[color ]

White to Off-White
[InChI]

InChI=1S/C16H13F6N5O2/c17-9-6-11(19)10(18)4-7(9)3-8-5-12(28)23-1-2-27-13(14(29)24-8)25-26-15(27)16(20,21)22/h4,6,8H,1-3,5H2,(H,23,28)(H,24,29)/t8-/m1/s1
[InChIKey]

CJUCSNDPMOGZTM-MRVPVSSYSA-N
[SMILES]

N1[C@H](CC2=CC(F)=C(F)C=C2F)CC(=O)NCCN2C(C(F)(F)F)=NN=C2C1=O
Hazard InformationBack Directory
[Uses]

(10R)-Sitagliptin Triazecine Analog is related to the family of Sitagliptin compounds which has recently been approved for the therapy of type II diabetes.
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