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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H26N8O3
Molecular Weight 486.5257
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-((3S)-3-AMINO-4-OXO-1-PIPERIDYL)-7-BUT-2-YNYL-3-METHYL-1-((4-METHYLQUINAZOLIN-2-YL)METHYL)PURINE-2,6-DIONE

SMILES

CC#CCN1C(=NC2=C1C(=O)N(CC3=NC4=CC=CC=C4C(C)=N3)C(=O)N2C)N5CCC(=O)[C@@H](N)C5

InChI

InChIKey=FDZXFXDPHQLSSL-KRWDZBQOSA-N
InChI=1S/C25H26N8O3/c1-4-5-11-32-21-22(29-24(32)31-12-10-19(34)17(26)13-31)30(3)25(36)33(23(21)35)14-20-27-15(2)16-8-6-7-9-18(16)28-20/h6-9,17H,10-14,26H2,1-3H3/t17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H26N8O3
Molecular Weight 486.5257
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 Sat Dec 16 14:48:34 GMT 2023
Edited
by admin
on Sat Dec 16 14:48:34 GMT 2023
Record UNII
N52MFQ770Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-((3S)-3-AMINO-4-OXO-1-PIPERIDYL)-7-BUT-2-YNYL-3-METHYL-1-((4-METHYLQUINAZOLIN-2-YL)METHYL)PURINE-2,6-DIONE
Systematic Name English
LINAGLIPTIN METABOLITE M487(1)
Common Name English
Code System Code Type Description
PUBCHEM
138320018
Created by admin on Sat Dec 16 14:48:34 GMT 2023 , Edited by admin on Sat Dec 16 14:48:34 GMT 2023
PRIMARY
FDA UNII
N52MFQ770Z
Created by admin on Sat Dec 16 14:48:34 GMT 2023 , Edited by admin on Sat Dec 16 14:48:34 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
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