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Details

Stereochemistry ACHIRAL
Molecular Formula C25H25N7O3
Molecular Weight 471.5111
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-(2-BUTYN-1-YL)-3,7-DIHYDRO-3-METHYL-1-((4-METHYL-2-QUINAZOLINYL)METHYL)-8-(3-OXO-1-PIPERIDINYL)-1H-PURINE-2,6-DIONE

SMILES

CC#CCN1C(=NC2=C1C(=O)N(CC3=NC4=CC=CC=C4C(C)=N3)C(=O)N2C)N5CCCC(=O)C5

InChI

InChIKey=QCBMVKOKWAMHHW-UHFFFAOYSA-N
InChI=1S/C25H25N7O3/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/h6-7,10-11H,8-9,12-15H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C25H25N7O3
Molecular Weight 471.5111
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 00:59:25 GMT 2025
Edited
by admin
on Wed Apr 02 00:59:25 GMT 2025
Record UNII
OG9YP6VJP9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LINAGLIPTIN METABOLITE CD10604
Preferred Name English
7-(2-BUTYN-1-YL)-3,7-DIHYDRO-3-METHYL-1-((4-METHYL-2-QUINAZOLINYL)METHYL)-8-(3-OXO-1-PIPERIDINYL)-1H-PURINE-2,6-DIONE
Systematic Name English
1H-PURINE-2,6-DIONE, 7-(2-BUTYN-1-YL)-3,7-DIHYDRO-3-METHYL-1-((4-METHYL-2-QUINAZOLINYL)METHYL)-8-(3-OXO-1-PIPERIDINYL)-
Systematic Name English
CD10604BS
Common Name English
CD10604
Common Name English
Code System Code Type Description
PUBCHEM
90891485
Created by admin on Wed Apr 02 00:59:25 GMT 2025 , Edited by admin on Wed Apr 02 00:59:25 GMT 2025
PRIMARY
FDA UNII
OG9YP6VJP9
Created by admin on Wed Apr 02 00:59:25 GMT 2025 , Edited by admin on Wed Apr 02 00:59:25 GMT 2025
PRIMARY
CAS
1807608-27-0
Created by admin on Wed Apr 02 00:59:25 GMT 2025 , Edited by admin on Wed Apr 02 00:59:25 GMT 2025
PRIMARY
Related Record Type Details
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