BGC > Product Search > (S)-Sitagliptin N-Boc-acid impurity

Description :
(S)-Sitagliptin N-Boc-Acid Impurity is an impurity of Sitagliptin. Sitagliptin is a dipeptidyl peptidase-4 (DPP-4) inhibitor for treatment of diabetes mellitus type 2.

• Molecular Weight :333.3
• Boiling Point :443.1ºC at 760 mmHg
• Melting Point :123-125°C
• Purity :> 95%

Molecular Formula :
C15H18F3NO4
Canonical SMILES :
CC(C)(C)OC(=O)NC(CC1=CC(=C(C=C1F)F)F)CC(=O)O
InChI :
InChI=1S/C15H18F3NO4/c1-15(2,3)23-14(22)19-9(6-13(20)21)4-8-5-11(17)12(18)7-10(8)16/h5,7,9H,4,6H2,1-3H3,(H,19,22)(H,20,21)/t9-/m0/s1
InChIKey :
TUAXCHGULMWHIO-VIFPVBQESA-N
Solubility :
Soluble in DMSO, Methanol
Appearance :
White to Off-white Solid
Storage : Store at 2-8°C
Synonyms :
Sitagliptin Impurity 41; Boc-(S)-3-Amino-4-(2,4,5-trifluorophenyl)butyric Acid; (βS)​-β-​[[(1,​1-​Dimethylethoxy)​carbonyl]​amino]​-​2,​4,​5-​trifluoro-benzenebutanoic Acid; (S)-3-((tert-butoxycarbonyl)amino)-4-(2,4,5-trifluorophenyl)butanoic acid

More details are to be found here