(R)-Sitagliptin rac-Fumarate Adduct (mixture of diastereomers)

CAS: 2088771-60-0

Ref. TR-S491040

Product Information

• Name: (R)-Sitagliptin rac-Fumarate Adduct (mixture of diastereomers)
• Synonyms: N-[(1R)-3-[5,6-Dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-3-oxo-1-[(2,4,5-trifluorophenyl)methyl]propyl]-L-Aspartic acid, Sitagliptin Maleate adduct
• Brand: TRC
• Description: Impurity Sitagliptin Tablets EP Impurity FP-AApplications Sitagliptin Fumarate Adduct is an impurity of Sitagliptin (S491000), a trizolopyrazine dipeptidyl peptidase IV inhibitor. Sitagliptin has recently been approved for the therapy of type II diabetes.References Kim, D., et al.: J. Med. Chem. 48, 141 (2005), Ahren, B., et al.: Eur. J. Pharmacol. 521 164 (2005), Bergman, A., et al: Clin. Ther. 28, 55 (2006)

Chemical properties

• Molecular weight: 523.38
• Formula: C₂₀H₁₉F₆N₅O₅
• Color/Form: White To Off-White
• InChI: InChI=1S/C20H19F6N5O5/c21-11-6-13(23)12(22)4-9(11)3-10(27-14(18(35)36)7-17(33)34)5-16(32)30-1-2-31-15(8-30)28-29-19(31)20(24,25)26/h4,6,10,14,27H,1-3,5,7-8H2,(H,33,34)(H,35,36)/t10-,14?/m1/s1
• InChI key: InChIKey=SDIOBAOATSWLLA-IAPIXIRKSA-N
• SMILES: O=C(O)CC(N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F)C(=O)O