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Product Overview

Product Code

TRC-A575440

CAS Number

850649-62-6

Product Format

Neat

Molecular Formula

C18 H21 N5 O2 . C7 H6 O2

Molecular Weight

461.51

API Family

Alogliptin

Product Categories

TRC, Pharmaceutical Toxicology Reference Materials , Pharmaceutical Toxicology Reference Materials

Product Type

API

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

Alogliptin Benzoate

CAS Number

850649-62-6

Molecular Formula

C18 H21 N5 O2 . C7 H6 O2

Molecular Weight

461.51

Accurate Mass

461.2063

SMILES

CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(Cc3ccccc3C#N)C1=O.OC(=O)c4ccccc4

InChI

InChI=1S/C18H21N5O2.C7H6O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19;8-7(9)6-4-2-1-3-5-6/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3;1-5H,(H,8,9)/t15-;/m1./s1

IUPAC

2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile;benzoic acid

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Alogliptin

Purity

>95% (HPLC)

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