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Product Overview

Product Code

TRC-C176090

CAS Number

1955514-80-3

Product Format

Neat

Molecular Formula

C26H29N9O3

Molecular Weight

515.57

API Family

Linagliptin

Product Categories

TRC, Impurity Reference Materials , API Reference Standards & Research Materials

Product Type

Native/Parent, API

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

N-Carbamoyl Linagliptin

CAS Number

1955514-80-3

Molecular Formula

C26H29N9O3

Molecular Weight

515.57

Accurate Mass

515.2393

SMILES

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

InChI

InChI=1S/C26H29N9O3/c1-4-5-13-34-21-22(31-25(34)33-12-8-9-17(14-33)29-24(27)37)32(3)26(38)35(23(21)36)15-20-28-16(2)18-10-6-7-11-19(18)30-20/h6-7,10-11,17H,8-9,12-15H2,1-3H3,(H3,27,29,37)

IUPAC

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

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Linagliptin

Purity

>95% (HPLC)

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