Linagliptin Methyl Dimer

Linagliptin Methyl Dimer

• Synonyms: Linagliptin Impurity; 8-(3-Aminopiperidin-1-yl)-7-(but-2-yn-1-yl)-1-((4-(2-((1-(7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidin-3-yl)amino)ethyl)quinazolin-2-yl)methyl)-3-methyl-1H-purine-2,6(3H,7H)-dione;
• Hazard Statement: Causes skin irritation
• Purity: >95% (HPLC)
• Smiles: CC#CCn1c(nc2N(C)C(=O)N(Cc3nc(CCN[C@@H]4CCCN(C4)c5nc6N(C)C(=O)N(Cc7nc(C)c8ccccc8n7)C(=O)c6n5CC#CC)c9ccccc9n3)C(=O)c12)N%10CCC[C@@H](N)C%10
• Molecular Formula: C51 H56 N16 O4
• Molecular Weight: 957.095
• InChI: InChI=1S/C51H56N16O4/c1-6-8-26-64-42-44(58-48(64)62-24-14-16-33(52)28-62)60(4)51(71)67(47(42)69)31-41-56-38-21-13-11-19-36(38)39(57-41)22-23-53-34-17-15-25-63(29-34)49-59-45-43(65(49)27-9-7-2)46(68)66(50(70)61(45)5)30-40-54-32(3)35-18-10-12-20-37(35)55-40/h10-13,18-21,33-34,53H,14-17,22-31,52H2,1-5H3/t33-,34-/m1/s1
• Additionnal Information: IUPAC name: 8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-1-[[4-[2-[[(3R)-1-[7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-2,6-dioxopurin-8-yl]piperidin-3-yl]amino]ethyl]quinazolin-2-yl]methyl]-3-methylpurine-2,6-dione
• Shipping Conditions: Room Temperature
• Storage Conditions: -20°C