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Product Overview

Product Code

TRC-L465895

CAS Number

668270-11-9

Product Format

Neat

Molecular Formula

C25H28N8O2

Molecular Weight

472.54

API Family

Linagliptin

Product Categories

TRC, API Reference Standards & Research Materials, Pharmaceutical Toxicology Reference Materials

Product Type

API

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

(S)-Linagliptin

CAS Number

668270-11-9

Molecular Formula

C25H28N8O2

Molecular Weight

472.54

Accurate Mass

472.2335

SMILES

O=C(N(C)C(N=C(N1C[C@@H](N)CCC1)N2CC#CC)=C2C3=O)N3CC4=NC5=CC=CC=C5C(C)=N4

InChI

InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m0/s1

IUPAC

8-[(3S)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Linagliptin

Purity

>95% (HPLC)

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