U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H27N7O3
Molecular Weight 473.527
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CD-1790

SMILES

CC#CCN1C(=NC2=C1C(=O)N(CC3=NC(C)=C4C=CC=CC4=N3)C(=O)N2C)N5CCC[C@H](O)C5

InChI

InChIKey=QAHWUJQHJPWQGS-KRWDZBQOSA-N
InChI=1S/C25H27N7O3/c1-4-5-13-31-21-22(28-24(31)30-12-8-9-17(33)14-30)29(3)25(35)32(23(21)34)15-20-26-16(2)18-10-6-7-11-19(18)27-20/h6-7,10-11,17,33H,8-9,12-15H2,1-3H3/t17-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CD-1790
Common Name English
CD 1790
Common Name English
LINAGLIPTIN METABOLITE M474(1)
Common Name English
7-BUT-2-YNYL-8-(3S-HYDROXY-PIPERIDIN-1-YL)-3-METHYL-1-(4-METHYL-QUINAZOLIN-2-YLMETHYL)-3,7-DIHYDRO-PURINE-2,6-DIONE
Systematic Name English
3-DE(AMINE)-3-HYDROXY LINAGLIPTIN, (3S)-
Common Name English
Code System Code Type Description
FDA UNII
L920390BEX
Created by admin on Fri Dec 15 19:00:58 GMT 2023 , Edited by admin on Fri Dec 15 19:00:58 GMT 2023
PRIMARY
PUBCHEM
72202338
Created by admin on Fri Dec 15 19:00:58 GMT 2023 , Edited by admin on Fri Dec 15 19:00:58 GMT 2023
PRIMARY
CAS
1620278-39-8
Created by admin on Fri Dec 15 19:00:58 GMT 2023 , Edited by admin on Fri Dec 15 19:00:58 GMT 2023
PRIMARY