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Details

Stereochemistry ACHIRAL
Molecular Formula C25H25N7O5
Molecular Weight 503.5099
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-((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)-2-OXO-PENTANOIC ACID

SMILES

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

InChI

InChIKey=FNDUYVQCZRSNAY-UHFFFAOYSA-N
InChI=1S/C25H25N7O5/c1-4-5-13-31-20-21(29-24(31)26-12-8-11-18(33)23(35)36)30(3)25(37)32(22(20)34)14-19-27-15(2)16-9-6-7-10-17(16)28-19/h6-7,9-10H,8,11-14H2,1-3H3,(H,26,29)(H,35,36)

HIDE SMILES / InChI

Molecular Formula C25H25N7O5
Molecular Weight 503.5099
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 Dec 16 15:04:16 GMT 2023
Edited
by admin
on Sat Dec 16 15:04:16 GMT 2023
Record UNII
JVN6L30QZK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-((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)-2-OXO-PENTANOIC ACID
Systematic Name English
PENTANOIC ACID, 5-((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)-2-OXO-
Systematic Name English
LINAGLIPTIN METABOLITE M504(2)
Common Name English
Code System Code Type Description
FDA UNII
JVN6L30QZK
Created by admin on Sat Dec 16 15:04:16 GMT 2023 , Edited by admin on Sat Dec 16 15:04:16 GMT 2023
PRIMARY
PUBCHEM
138319974
Created by admin on Sat Dec 16 15:04:16 GMT 2023 , Edited by admin on Sat Dec 16 15:04:16 GMT 2023
PRIMARY
CAS
1807607-25-5
Created by admin on Sat Dec 16 15:04:16 GMT 2023 , Edited by admin on Sat Dec 16 15:04:16 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MINOR