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851307-12-5

851307-12-5 Structure

851307-12-5 Structure
IdentificationBack Directory
[Name]

Sitagliptin Defuoro IMpurity 3
[CAS]

851307-12-5
[Synonyms]

Sitagliptin iMpurity L
Sitagliptin Defuoro IMpurity 3
Sitagliptin Defluoro Impurity 3
(R)-Sitagliptin Defluoro Impurity
(R)-Sitagliptin Defluoro Impurity 3
(R)-b-(Boc-amino)-2,4-difluorobenzenebutanoic acid
Boc-(R)-3-Amino-4-(2,4-difluorophenyl)-butyricacid
Sitagliptin Defluoro Impurity 3 (Sitagliptin impurity I)
Sitagliptin defluorinated impurity 3 (sitagliptin impurity I)
3-TERT-BUTOXYCARBONYLAMINO-4-(2,4-DIFLUORO-PHENYL)-BUTYRIC ACID
(R)-3-(tert-butoxycarbonylaMino)-4-(2,4-difluorophenyl)butanoic acid
3-([(tert-Butoxy)carbonyl]amino)-4-(2,4-difluorophenyl)butanoic acid
(3R)-3-[(tert-Butoxycarbonyl)amino]-4-(2,4-difluorophenyl)butanoic acid
Benzenebutanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-2,4-difluoro-, (βR)-
(3R)-4-(2,4-difluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Sitagliptin impurity 16/(R)-Sitagliptin Defluoro Impurity 3/(R)-b-(Boc-amino)-2,4-difluorobenzenebutanoic acid
[Molecular Formula]

C15H19F2NO4
[MDL Number]

MFCD27951984
[MOL File]

851307-12-5.mol
[Molecular Weight]

315.31
Chemical PropertiesBack Directory
[Boiling point ]

444.3±45.0 °C(Predicted)
[density ]

1.243±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[pka]

4.37±0.10(Predicted)
[Appearance]

white solid
[InChI]

InChI=1/C15H19F2NO4/c1-15(2,3)22-14(21)18-11(8-13(19)20)6-9-4-5-10(16)7-12(9)17/h4-5,7,11H,6,8H2,1-3H3,(H,18,21)(H,19,20)/t11-/s3
[InChIKey]

LUYHWLQWAVCDNA-LBPXTSNRNA-N
[SMILES]

C(O)(=O)C[C@H](NC(OC(C)(C)C)=O)CC1=CC=C(F)C=C1F |&1:4,r|
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H320-H335
[Precautionary statements ]

P264-P270-P301+P312-P330
Hazard InformationBack Directory
[Uses]

(3R)-3-[(tert-Butoxycarbonyl)amino]-4-(2,4-difluorophenyl)butanoic Acid is a derivative of Sitagliptin (S491000), a dipeptidyl peptidase-4 inhibitor used to treat patients with type-2 diabetes by means of glycemic control.
Spectrum DetailBack Directory
[Spectrum Detail]

Sitagliptin Defuoro IMpurity 3(851307-12-5)1HNMR
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