Product Code

TRC-D201552

Product Format

Neat

Molecular Formula

C25 D3 H24 N7 O3

Molecular Weight

476.546

Product Categories

TRC, Stable isotopes

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

1620278-39-8

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

3-Deamino 3-Hydroxy Linagliptin-d3

Molecular Formula

C25 D3 H24 N7 O3

Molecular Weight

476.546

Accurate Mass

476.236

SMILES

[2H]C([2H])([2H])C#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/i1D3

IUPAC

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

Unlabelled CAS Number

1620278-39-8

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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3-Deamino 3-Hydroxy Linagliptin-d3

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