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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H28N8O3
Molecular Weight 488.5426
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-((3R)-3-AMINO-1-PIPERIDINYL)-3,7-DIHYDRO-7-(4-HYDROXY-2-BUTYN-1-YL)-3-METHYL-1-((4-METHYL-2-QUINAZOLINYL)METHYL)-1H-PURINE-2,6-DIONE

SMILES

Cc1c2ccccc2nc(Cn3c(=O)c4c(nc(N5CCC[C@]([H])(C5)N)n4CC#CCO)n(C)c3=O)n1

InChI

InChIKey=MREQTPLJIIFUIK-QGZVFWFLSA-N
InChI=1S/C25H28N8O3/c1-16-18-9-3-4-10-19(18)28-20(27-16)15-33-23(35)21-22(30(2)25(33)36)29-24(32(21)12-5-6-13-34)31-11-7-8-17(26)14-31/h3-4,9-10,17,34H,7-8,11-15,26H2,1-2H3/t17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H28N8O3
Molecular Weight 488.5426
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 Jun 26 07:55:50 UTC 2021
Edited
by admin
on Sat Jun 26 07:55:50 UTC 2021
Record UNII
K7LRO6HCA0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-((3R)-3-AMINO-1-PIPERIDINYL)-3,7-DIHYDRO-7-(4-HYDROXY-2-BUTYN-1-YL)-3-METHYL-1-((4-METHYL-2-QUINAZOLINYL)METHYL)-1H-PURINE-2,6-DIONE
Systematic Name English
LINAGLIPTIN METABOLITE M489(1)
Common Name English
1H-PURINE-2,6-DIONE, 8-((3R)-3-AMINO-1-PIPERIDINYL)-3,7-DIHYDRO-7-(4-HYDROXY-2-BUTYN-1-YL)-3-METHYL-1-((4-METHYL-2-QUINAZOLINYL)METHYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
K7LRO6HCA0
Created by admin on Sat Jun 26 07:55:51 UTC 2021 , Edited by admin on Sat Jun 26 07:55:51 UTC 2021
PRIMARY
CAS
1807608-59-8
Created by admin on Sat Jun 26 07:55:50 UTC 2021 , Edited by admin on Sat Jun 26 07:55:50 UTC 2021
PRIMARY
PUBCHEM
146014909
Created by admin on Sat Jun 26 07:55:51 UTC 2021 , Edited by admin on Sat Jun 26 07:55:51 UTC 2021
PRIMARY
Related Record Type Details
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