IUPAC Name: | tert-butyl N-[(3S)-1-[7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-2,6-dioxopurin-8-yl]piperidin-3-yl]carbamate |
Description: | (S)-Linagliptin tert-Butyl Ester is an impurity of Linagliptin. Linagliptin is an inhibitor of dipeptidyl peptidase-4 (DPP-4) that is a medication used to treat type 2 diabetes in conjunction with exercise and diet. |
Molecular Weight: | 572.66 |
Molecular Formula: | C30H36N8O4 |
Canonical SMILES: | CC#CCN1C2=C(N=C1N3CCCC(C3)NC(=O)OC(C)(C)C)N(C(=O)N(C2=O)CC4=NC5=CC=CC=C5C(=N4)C)C |
InChI: | InChI=1S/C30H36N8O4/c1-7-8-16-37-24-25(34-27(37)36-15-11-12-20(17-36)32-28(40)42-30(3,4)5)35(6)29(41)38(26(24)39)18-23-31-19(2)21-13-9-10-14-22(21)33-23/h9-10,13-14,20H,11-12,15-18H2,1-6H3,(H,32,40)/t20-/m0/s1 |
InChI Key: | PQEIZFATTRGTNW-FQEVSTJZSA-N |
Solubility: | Soluble in Chloroform, DMSO and Methanol |
Appearance: | Yellow Solid |
Storage: | Store at -20°C |
References: | Prabavathy, N. et al. Int. J. Pharm. Bio. Sci., 2, 438 (2011); Deacon, C.F. Diab. Obes. Metab., 13, 7 (2011). |
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