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Product Overview

Product Code

TRC-L465915

Product Format

Neat

Molecular Formula

C52H58N16O4

Molecular Weight

971.14

Product Categories

TRC

Documentation

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Product Information

Chemical Data

Analyte Name

Linagliptin Ethyldimer

Molecular Formula

C52H58N16O4

Molecular Weight

971.14

Accurate Mass

970.48

SMILES

O=C(N(C)C(N=C(N1C[C@H](N)CCC1)N2CC#CC)=C2C3=O)N3CC4=NC5=CC=CC=C5C(CC(C)N[C@H](CCC6)CN6C(N7CC#CC)=NC8=C7C(N(CC9=NC%10=CC=CC=C%10C(C)=N9)C(N8C)=O)=O)=N4

InChI

InChI=1S/C52H58N16O4/c1-7-9-25-65-43-45(59-49(65)63-23-15-17-34(53)28-63)61(5)52(72)68(48(43)70)31-42-57-39-22-14-12-20-37(39)40(58-42)27-32(3)54-35-18-16-24-64(29-35)50-60-46-44(66(50)26-10-8-2)47(69)67(51(71)62(46)6)30-41-55-33(4)36-19-11-13-21-38(36)56-41/h11-14,19-22,32,34-35,54H,15-18,23-31,53H2,1-6H3/t32?,34-,35-/m1/s1

IUPAC

8-((R)-3-aminopiperidin-1-yl)-7-(but-2-yn-1-yl)-1-((4-(2-(((R)-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)propyl)quinazolin-2-yl)methyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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