3-(2-Cyanobenzyl) Alogliptin

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H26N6O2
Molecular Weight	454.5236
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(2-Cyanobenzyl) Alogliptin

Structure Search

SMILES

CN1C(=O)C=C(N2CCC[C@H](C2)NCC3=C(C=CC=C3)C#N)N(CC4=C(C=CC=C4)C#N)C1=O

InChI

InChIKey=QFRGMTBAMFOHOH-HSZRJFAPSA-N

InChI=1S/C26H26N6O2/c1-30-25(33)13-24(32(26(30)34)17-22-10-5-3-8-20(22)15-28)31-12-6-11-23(18-31)29-16-21-9-4-2-7-19(21)14-27/h2-5,7-10,13,23,29H,6,11-12,16-18H2,1H3/t23-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H26N6O2
Molecular Weight	454.5236
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:48:37 GMT 2025` Edited by `admin` on `Wed Apr 02 19:48:37 GMT 2025`
Record UNII	NRP72FH8DT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(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)

Preferred Name

English

3-(2-Cyanobenzyl) Alogliptin

Systematic Name

English

Code System Code Type Description

FDA UNII

NRP72FH8DT

Created by admin on Wed Apr 02 19:48:37 GMT 2025 , Edited by admin on Wed Apr 02 19:48:37 GMT 2025

PRIMARY

PUBCHEM

151577072

Created by admin on Wed Apr 02 19:48:37 GMT 2025 , Edited by admin on Wed Apr 02 19:48:37 GMT 2025

PRIMARY

CAS

2749424-28-8

Created by admin on Wed Apr 02 19:48:37 GMT 2025 , Edited by admin on Wed Apr 02 19:48:37 GMT 2025

PRIMARY

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