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Details

Stereochemistry ACHIRAL
Molecular Formula C25H25N7O3
Molecular Weight 471.5121
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#CCn1c2c(nc1N3CCCC(=O)C3)n(C)c(=O)n(Cc4nc(C)c5ccccc5n4)c2=O

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 471.5121
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 Sat Jun 26 05:12:58 UTC 2021
Edited
by admin
on Sat Jun 26 05:12:58 UTC 2021
Record UNII
OG9YP6VJP9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
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
LINAGLIPTIN METABOLITE CD10604
Common Name English
CD10604BS
Common Name English
CD10604
Common Name English
Code System Code Type Description
PUBCHEM
90891485
Created by admin on Sat Jun 26 05:12:58 UTC 2021 , Edited by admin on Sat Jun 26 05:12:58 UTC 2021
PRIMARY
FDA UNII
OG9YP6VJP9
Created by admin on Sat Jun 26 05:12:58 UTC 2021 , Edited by admin on Sat Jun 26 05:12:58 UTC 2021
PRIMARY
CAS
1807608-27-0
Created by admin on Sat Jun 26 05:12:58 UTC 2021 , Edited by admin on Sat Jun 26 05:12:58 UTC 2021
PRIMARY
Related Record Type Details
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