Name: N-Des-(2-butyn-1-yl)-N-(3-bromo-2-buten-1-yl) Linagliptin (E/Z Mixture)
Brand: TRC
SKU: TRC-D282015-10MG

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Product Overview

Product Code

TRC-D282015-10MG

Product Format

Neat

Molecular Formula

C25H29BrN8O2

Molecular Weight

553.45

Product Categories

TRC - Toronto Research Chemicals, Impurity Reference Materials

Alternate CAS Number

E-isomer: 1446263-39-3; Z-isomer: 1638744-06-5

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Product Information

Analyte Name

N-Des-(2-butyn-1-yl)-N-(3-bromo-2-buten-1-yl) Linagliptin (E/Z Mixture)

Molecular Formula

C25H29BrN8O2

Molecular Weight

553.45

Accurate Mass

552.16

SMILES

O=C(N(C)C(N=C(N1C[C@H](N)CCC1)N2C/C=C(C)/Br)=C2C3=O)N3CC4=NC5=CC=CC=C5C(C)=N4

InChI

InChI=1S/C25H29BrN8O2/c1-15(26)10-12-33-21-22(30-24(33)32-11-6-7-17(27)13-32)31(3)25(36)34(23(21)35)14-20-28-16(2)18-8-4-5-9-19(18)29-20/h4-5,8-10,17H,6-7,11-14,27H2,1-3H3/b15-10+/t17-/m1/s1

IUPAC

(R,E)-8-(3-aminopiperidin-1-yl)-7-(3-bromobut-2-en-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-3,7-dihydro-1H-purine-2,6-dione

Alternate CAS Number

E-isomer: 1446263-39-3; Z-isomer: 1638744-06-5

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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