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Product Overview

Product Code

TRC-B656810

CAS Number

668273-75-4

Product Format

Neat

Molecular Formula

C30 H36 N8 O4

Molecular Weight

572.66

API Family

Linagliptin

Product Categories

TRC, Impurity Reference Materials , Chiral Molecules

Product Type

Impurity

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

N-Boc Linagliptin

CAS Number

668273-75-4

Molecular Formula

C30 H36 N8 O4

Molecular Weight

572.66

Accurate Mass

572.286

SMILES

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

InChI

InChI=1S/C30H36N8O4/c1-7-8-16-37-24-25(34-27(37)36-15-11-12-20(17-36)32-28(40)42-30(3,4)5)35(6)29(41)38(26(24)39)18-23-31-19(2)21-13-9-10-14-22(21)33-23/h9-10,13-14,20H,11-12,15-18H2,1-6H3,(H,32,40)/t20-/m1/s1

IUPAC

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

Product Data

Storage Temperature

+4°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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