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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H27N7O4
Molecular Weight 489.5264
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=DGVYUAILSQZNGN-KRWDZBQOSA-N
InChI=1S/C25H27N7O4/c1-16-18-9-3-4-10-19(18)27-20(26-16)15-32-23(35)21-22(29(2)25(32)36)28-24(31(21)12-5-6-13-33)30-11-7-8-17(34)14-30/h3-4,9-10,17,33-34H,7-8,11-15H2,1-2H3/t17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H27N7O4
Molecular Weight 489.5264
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 14:28:14 GMT 2023
Edited
by admin
on Sat Dec 16 14:28:14 GMT 2023
Record UNII
E443NQ9ZNX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,7-DIHYDRO-7-(4-HYDROXY-2-BUTYN-1-YL)-8-((3S)-3-HYDROXY-1-PIPERIDINYL)-3-METHYL-1-((4-METHYL-2-QUINAZOLINYL)METHYL)-1H-PURINE-2,6-DIONE
Systematic Name English
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-7-(4-HYDROXY-2-BUTYN-1-YL)-8-((3S)-3-HYDROXY-1-PIPERIDINYL)-3-METHYL-1-((4-METHYL-2-QUINAZOLINYL)METHYL)-
Systematic Name English
LINAGLIPTIN METABOLITE M490(1)
Common Name English
Code System Code Type Description
CAS
1297273-96-1
Created by admin on Sat Dec 16 14:28:14 GMT 2023 , Edited by admin on Sat Dec 16 14:28:14 GMT 2023
PRIMARY
FDA UNII
E443NQ9ZNX
Created by admin on Sat Dec 16 14:28:14 GMT 2023 , Edited by admin on Sat Dec 16 14:28:14 GMT 2023
PRIMARY
PUBCHEM
138319972
Created by admin on Sat Dec 16 14:28:14 GMT 2023 , Edited by admin on Sat Dec 16 14:28:14 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
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