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Linagliptin Impurity 37

SZ CAT No SZ-L024063
CAS No 2074688-81-4
Mol.F. C33H32N8O5
Mol.Wt. 620.7
Inv. Status Custom Synthesis


Chemical Name: (R)-2-((1-(7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-2,6-dioxo-2,3,6,7-tetrahydro-1Hpurin-8-yl)piperidin-3-yl)carbamoyl)benzoic acid

Smiles: O=C(O)C1=CC=CC=C1C(N[C@H]2CN(C(N3CC#CC)=NC(N(C)C(N4CC5=NC(C)=C6C=CC=CC6=N5)=O)=C3C4=O)CCC2)=O

Inchi: InChI=1S/C58H58N16O6/c1-7-9-29-71-47-49(67(5)57(79)73(53(47)77)33-45-59-35(3)39-21-13-15-25-43(39)63-45)65-55(71)69-27-17-19-37(31-69)61-51(75)41-23-11-12-24-42(41)52(76)62-38-20-18-28-70(32-38)56-66-50-48(72(56)30-10-8-2)54(78)74(58(80)68(50)6)34-46-60-36(4)40-22-14-16-26-44(40)64-46/h11-16,21-26,37-38H,17-20,27-34H2,1-6H3,(H,61,75)(H,62,76)/t37-,38-/m1/s1