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Details

Stereochemistry ACHIRAL
Molecular Formula C20H18N6O2
Molecular Weight 374.3959
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Linagliptin des-piperidine amine

SMILES

CC#CCN1C=NC2=C1C(=O)N(CC3=NC4=CC=CC=C4C(C)=N3)C(=O)N2C

InChI

InChIKey=SZDVVNIQCKMJQU-UHFFFAOYSA-N
InChI=1S/C20H18N6O2/c1-4-5-10-25-12-21-18-17(25)19(27)26(20(28)24(18)3)11-16-22-13(2)14-8-6-7-9-15(14)23-16/h6-9,12H,10-11H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C20H18N6O2
Molecular Weight 374.3959
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 18:29:26 GMT 2025
Edited
by admin
on Wed Apr 02 18:29:26 GMT 2025
Record UNII
F72RAD22NT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1H-Purine-2,6-dione, 7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-
Preferred Name English
Linagliptin des-piperidine amine
Common Name English
7-(2-Butyn-1-yl)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-1H-purine-2,6-dione
Systematic Name English
Code System Code Type Description
PUBCHEM
129011931
Created by admin on Wed Apr 02 18:29:26 GMT 2025 , Edited by admin on Wed Apr 02 18:29:26 GMT 2025
PRIMARY
CAS
1911621-52-7
Created by admin on Wed Apr 02 18:29:26 GMT 2025 , Edited by admin on Wed Apr 02 18:29:26 GMT 2025
PRIMARY
FDA UNII
F72RAD22NT
Created by admin on Wed Apr 02 18:29:26 GMT 2025 , Edited by admin on Wed Apr 02 18:29:26 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY