(R)-2-(((1-(3-(2-Cyanobenzyl)-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperidin-3-yl)amino)methyl)benzonitrile Alogliptin Impurity

CAS No. 2749424-28-8
Cat. No. CS-0528902
Molecule weight454.52
Purity≥98%
MDL No.None

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(R)-2-(((1-(3-(2-Cyanobenzyl)-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperidin-3-yl)amino)methyl)benzonitrile Alogliptin Impurity|CS-0528902

Structure of 2749424-28-8

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General Information
Safety Information
Quality Control
Computational Chemistry Data

General Information

CAS No. 2749424-28-8
Cat. No. CS-0528902
Purity ≥98%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₆H₂₆N₆O₂
Molecular Weight 454.52
Synonym(s) INDEX NAME NOT YET ASSIGNED
SMILES O=C1N(C(N(C(N2CCC[C@H](C2)NCC3=C(C=CC=C3)C#N)=C1)CC4=C(C=CC=C4)C#N)=O)C

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

TPSA 106.85
LogP 2.09726
H_Acceptors 8
H_Donors 1
Rotatable_Bonds 6

Other Classifications

Building Blocks Functional Group Urea

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

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(R)-2-(((1-(3-(2-Cyanobenzyl)-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperidin-3-yl)amino)methyl)benzonitrile Alogliptin Impurity

CAS No. 2749424-28-8