Linagliptin, (S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H28N8O2
Molecular Weight	472.5422
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC#CCN1C(=NC2=C1C(=O)N(CC3=NC4=C(C=CC=C4)C(C)=N3)C(=O)N2C)N5CCC[C@H](N)C5

InChI

InChIKey=LTXREWYXXSTFRX-KRWDZBQOSA-N

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

HIDE SMILES / InChI

Molecular Formula	C25H28N8O2
Molecular Weight	472.5422
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 13:51:03 GMT 2025` Edited by `admin` on `Wed Apr 02 13:51:03 GMT 2025`
Record UNII	2U6HE75USV
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

LINAGLIPTIN IMPURITY G

Preferred Name

English

Linagliptin, (S)-

Common Name

English

1H-PURINE-2,6-DIONE, 8-((3S)-3-AMINO-1-PIPERIDINYL)-7-(2-BUTYN-1-YL)-3,7-DIHYDRO-3-METHYL-1-((4-METHYL-2-QUINAZOLINYL)METHYL)-

Systematic Name

English

LINAGLIPTIN S ISOMER

Common Name

English

Code System Code Type Description

PUBCHEM

25191889

Created by admin on Wed Apr 02 13:51:03 GMT 2025 , Edited by admin on Wed Apr 02 13:51:03 GMT 2025

PRIMARY

CAS

668270-11-9

Created by admin on Wed Apr 02 13:51:03 GMT 2025 , Edited by admin on Wed Apr 02 13:51:03 GMT 2025

PRIMARY

FDA UNII

2U6HE75USV

Created by admin on Wed Apr 02 13:51:03 GMT 2025 , Edited by admin on Wed Apr 02 13:51:03 GMT 2025

PRIMARY

Related Record Type Details


					3X29ZEJ4R2

Linagliptin

PARENT -> IMPURITY

Amount: