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Details

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

SHOW SMILES / InChI
Structure of N-((3R)-1-(2,3,6,7-TETRAHYDRO-7-(4-HYDROXY-2-BUTYN-1-YL)-3-METHYL-1-((4-METHYL-2-QUINAZOLINYL-2-14C)METHYL)-2,6-DIOXO-1H-PURIN-8-YL)-3-PIPERIDINYL)ACETAMIDE

SMILES

CN1C2=C(N(CC#CCO)C(=N2)N3CCC[C@H](C3)NC(C)=O)C(=O)N(CC4=NC5=CC=CC=C5C(C)=N4)C1=O

InChI

InChIKey=YPUTXYAMPNLRKZ-LJQANCHMSA-N
InChI=1S/C27H30N8O4/c1-17-20-10-4-5-11-21(20)30-22(28-17)16-35-25(38)23-24(32(3)27(35)39)31-26(34(23)13-6-7-14-36)33-12-8-9-19(15-33)29-18(2)37/h4-5,10-11,19,36H,8-9,12-16H2,1-3H3,(H,29,37)/t19-/m1/s1

HIDE SMILES / InChI

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

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 04:13:11 GMT 2025
Edited
by admin
on Wed Apr 02 04:13:11 GMT 2025
Record UNII
YM71J8YOY3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LINAGLIPTIN METABOLITE M531(1)
Preferred Name English
N-((3R)-1-(2,3,6,7-TETRAHYDRO-7-(4-HYDROXY-2-BUTYN-1-YL)-3-METHYL-1-((4-METHYL-2-QUINAZOLINYL-2-14C)METHYL)-2,6-DIOXO-1H-PURIN-8-YL)-3-PIPERIDINYL)ACETAMIDE
Systematic Name English
ACETAMIDE, N-((3R)-1-(2,3,6,7-TETRAHYDRO-7-(4-HYDROXY-2-BUTYN-1-YL)-3-METHYL-1-((4-METHYL-2-QUINAZOLINYL-2-14C)METHYL)-2,6-DIOXO-1H-PURIN-8-YL)-3-PIPERIDINYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
138320030
Created by admin on Wed Apr 02 04:13:11 GMT 2025 , Edited by admin on Wed Apr 02 04:13:11 GMT 2025
PRIMARY
CAS
1297274-01-1
Created by admin on Wed Apr 02 04:13:11 GMT 2025 , Edited by admin on Wed Apr 02 04:13:11 GMT 2025
PRIMARY
FDA UNII
YM71J8YOY3
Created by admin on Wed Apr 02 04:13:11 GMT 2025 , Edited by admin on Wed Apr 02 04:13:11 GMT 2025
PRIMARY
Related Record Type Details
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