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Product Overview

Product Code

TRC-T278460

CAS Number

1673546-62-7

Product Format

Neat

Molecular Formula

C27 H27 F3 N8 O3

Molecular Weight

568.55

Product Categories

TRC

Product Type

Impurity

Documentation

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Product Information

Chemical Data

Analyte Name

3-Trifluoroacetylamino Linagliptin

CAS Number

1673546-62-7

Molecular Formula

C27 H27 F3 N8 O3

Molecular Weight

568.55

Accurate Mass

568.216

SMILES

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

InChI

InChI=1S/C27H27F3N8O3/c1-4-5-13-37-21-22(34-25(37)36-12-8-9-17(14-36)32-24(40)27(28,29)30)35(3)26(41)38(23(21)39)15-20-31-16(2)18-10-6-7-11-19(18)33-20/h6-7,10-11,17H,8-9,12-15H2,1-3H3,(H,32,40)/t17-/m1/s1

IUPAC

N-[(3R)-1-[7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-2,6-dioxopurin-8-yl]piperidin-3-yl]-2,2,2-trifluoroacetamide

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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