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Product Overview

Product Code

TRC-L465920

CAS Number

1803079-49-3

Product Format

Neat

Molecular Formula

C27 H30 N8 O3

Molecular Weight

514.58

API Family

Linagliptin

Product Categories

TRC, Impurity Reference Materials

Product Type

Impurity

Alternate CAS Number

Radioisotope labelled: 1297274-00-0

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

Linagliptin Acetamide

CAS Number

1803079-49-3

Molecular Formula

C27 H30 N8 O3

Molecular Weight

514.58

Accurate Mass

514.2441

SMILES

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

InChI

InChI=1S/C27H30N8O3/c1-5-6-14-34-23-24(31-26(34)33-13-9-10-19(15-33)29-18(3)36)32(4)27(38)35(25(23)37)16-22-28-17(2)20-11-7-8-12-21(20)30-22/h7-8,11-12,19H,9-10,13-16H2,1-4H3,(H,29,36)/t19-/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]acetamide

Alternate CAS Number

Radioisotope labelled: 1297274-00-0

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Linagliptin

Purity

>95% (HPLC)

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Chemical Data

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