Analyte Name

3-Deamino 3-Hydroxy Linagliptin

Molecular Formula

C25 H27 N7 O3

Molecular Weight

473.527

Accurate Mass

473.218

SMILES

CC#CCn1c(nc2N(C)C(=O)N(Cc3nc(C)c4ccccc4n3)C(=O)c12)N5CCC[C@@H](O)C5

InChI

InChI=1S/C25H27N7O3/c1-4-5-13-31-21-22(28-24(31)30-12-8-9-17(33)14-30)29(3)25(35)32(23(21)34)15-20-26-16(2)18-10-6-7-11-19(18)27-20/h6-7,10-11,17,33H,8-9,12-15H2,1-3H3/t17-/m1/s1

IUPAC

7-but-2-ynyl-8-[(3R)-3-hydroxypiperidin-1-yl]-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat