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Details

Stereochemistry EPIMERIC
Molecular Formula C27H30N8O4
Molecular Weight 530.5783
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-((3R)-1-(7-BUT-2-YNYL-3-METHYL-1-((4-METHYLQUINAZOLIN-2-YL)METHYL)-2,6-DIOXO-PURIN-8-YL)-2-HYDROXY-3-PIPERIDYL)ACETAMIDE

SMILES

CC#CCN1C(=NC2=C1C(=O)N(CC3=NC4=CC=CC=C4C(C)=N3)C(=O)N2C)N5CCC[C@@H](NC(C)=O)C5O

InChI

InChIKey=OFRFNAFLSCSEND-CGHJUBPDSA-N
InChI=1S/C27H30N8O4/c1-5-6-13-33-22-23(31-26(33)34-14-9-12-20(24(34)37)29-17(3)36)32(4)27(39)35(25(22)38)15-21-28-16(2)18-10-7-8-11-19(18)30-21/h7-8,10-11,20,24,37H,9,12-15H2,1-4H3,(H,29,36)/t20-,24?/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H30N8O4
Molecular Weight 530.5783
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 03:36:17 GMT 2025
Edited
by admin
on Wed Apr 02 03:36:17 GMT 2025
Record UNII
2VM3C2G9LA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-((3R)-1-(7-BUT-2-YNYL-3-METHYL-1-((4-METHYLQUINAZOLIN-2-YL)METHYL)-2,6-DIOXO-PURIN-8-YL)-2-HYDROXY-3-PIPERIDYL)ACETAMIDE
Systematic Name English
LINAGLIPTIN METABOLITE M531(2)
Preferred Name English
Code System Code Type Description
PUBCHEM
165411998
Created by admin on Wed Apr 02 03:36:17 GMT 2025 , Edited by admin on Wed Apr 02 03:36:17 GMT 2025
PRIMARY
FDA UNII
2VM3C2G9LA
Created by admin on Wed Apr 02 03:36:17 GMT 2025 , Edited by admin on Wed Apr 02 03:36:17 GMT 2025
PRIMARY
Related Record Type Details
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