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Details

Stereochemistry ACHIRAL
Molecular Formula C24H25N7O4
Molecular Weight 475.5007
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-((7-(2-BUTYN-1-YL)-2,3,6,7-TETRAHYDRO-3-METHYL-1-((4-METHYL-2-QUINAZOLINYL)METHYL)-2,6-DIOXO-1H-PURIN-8-YL)AMINO)BUTANOIC ACID

SMILES

CC#CCn1c2c([nH]c1=NCCCC(=O)O)n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c2=O

InChI

InChIKey=FAIWNEHMOQSJPD-UHFFFAOYSA-N
InChI=1S/C24H25N7O4/c1-4-5-13-30-20-21(28-23(30)25-12-8-11-19(32)33)29(3)24(35)31(22(20)34)14-18-26-15(2)16-9-6-7-10-17(16)27-18/h6-7,9-10H,8,11-14H2,1-3H3,(H,25,28)(H,32,33)

HIDE SMILES / InChI

Molecular Formula C24H25N7O4
Molecular Weight 475.5007
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 13:46:24 UTC 2021
Edited
by admin
on Sat Jun 26 13:46:24 UTC 2021
Record UNII
OXY0MZO675
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-((7-(2-BUTYN-1-YL)-2,3,6,7-TETRAHYDRO-3-METHYL-1-((4-METHYL-2-QUINAZOLINYL)METHYL)-2,6-DIOXO-1H-PURIN-8-YL)AMINO)BUTANOIC ACID
Systematic Name English
LINAGLIPTIN METABOLITE M476(1)
Common Name English
BUTANOIC ACID, 4-((7-(2-BUTYN-1-YL)-2,3,6,7-TETRAHYDRO-3-METHYL-1-((4-METHYL-2-QUINAZOLINYL)METHYL)-2,6-DIOXO-1H-PURIN-8-YL)AMINO)-
Systematic Name English
Code System Code Type Description
PUBCHEM
138320004
Created by admin on Sat Jun 26 13:46:25 UTC 2021 , Edited by admin on Sat Jun 26 13:46:25 UTC 2021
PRIMARY
FDA UNII
OXY0MZO675
Created by admin on Sat Jun 26 13:46:25 UTC 2021 , Edited by admin on Sat Jun 26 13:46:25 UTC 2021
PRIMARY
CAS
1807607-07-3
Created by admin on Sat Jun 26 13:46:25 UTC 2021 , Edited by admin on Sat Jun 26 13:46:25 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE