Product Code

TRC-P384562

Product Format

Neat

Molecular Formula

C33H27D3N8O4

Molecular Weight

605.66

Product Categories

TRC, Stable isotopes

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

886588-63-2

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

N-Phthalimide-linagliptin-d3

Molecular Formula

C33H27D3N8O4

Molecular Weight

605.66

Accurate Mass

605.26

SMILES

O=C(N1CC2=NC3=CC=CC=C3C(C)=N2)N(C4=C(C1=O)N(CC#CC([2H])([2H])[2H])C(N5C[C@@H](CCC5)N6C(C7=CC=CC=C7C6=O)=O)=N4)C

InChI

InChI=1S/C33H30N8O4/c1-4-5-17-39-27-28(37(3)33(45)40(31(27)44)19-26-34-20(2)22-12-8-9-15-25(22)35-26)36-32(39)38-16-10-11-21(18-38)41-29(42)23-13-6-7-14-24(23)30(41)43/h6-9,12-15,21H,10-11,16-19H2,1-3H3/t21-/m1/s1/i1D3

IUPAC

(R)-7-(but-2-yn-1-yl-4,4,4-d3)-8-(3-(1,3-dioxoisoindolin-2-yl)piperidin-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-3,7-dihydro-1H-purine-2,6-dione

Unlabelled CAS Number

886588-63-2

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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