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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H26N8O4
Molecular Weight 502.5261
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-((8-((3R)-3-AMINO-1-PIPERIDINYL)-7-(2-BUTYN-1-YL)-2,3,6,7-TETRAHYDRO-3-METHYL-2,6-DIOXO-1H-PURIN-1-YL)METHYL)-4-QUINAZOLINECARBOXYLIC ACID

SMILES

CC#CCn1c2c(nc1N3CCC[C@]([H])(C3)N)n(C)c(=O)n(Cc4nc5ccccc5c(C(=O)O)n4)c2=O

InChI

InChIKey=RGTNITURKUFCGN-OAHLLOKOSA-N
InChI=1S/C25H26N8O4/c1-3-4-12-32-20-21(29-24(32)31-11-7-8-15(26)13-31)30(2)25(37)33(22(20)34)14-18-27-17-10-6-5-9-16(17)19(28-18)23(35)36/h5-6,9-10,15H,7-8,11-14,26H2,1-2H3,(H,35,36)/t15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H26N8O4
Molecular Weight 502.5261
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 04:14:37 UTC 2021
Edited
by admin
on Sat Jun 26 04:14:37 UTC 2021
Record UNII
24KFS7IE11
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-((8-((3R)-3-AMINO-1-PIPERIDINYL)-7-(2-BUTYN-1-YL)-2,3,6,7-TETRAHYDRO-3-METHYL-2,6-DIOXO-1H-PURIN-1-YL)METHYL)-4-QUINAZOLINECARBOXYLIC ACID
Systematic Name English
4-QUINAZOLINECARBOXYLIC ACID, 2-((8-((3R)-3-AMINO-1-PIPERIDINYL)-7-(2-BUTYN-1-YL)-2,3,6,7-TETRAHYDRO-3-METHYL-2,6-DIOXO-1H-PURIN-1-YL)METHYL)-
Systematic Name English
LINAGLIPTIN METABOLITE M503(1)
Common Name English
Code System Code Type Description
CAS
1807608-08-7
Created by admin on Sat Jun 26 04:14:37 UTC 2021 , Edited by admin on Sat Jun 26 04:14:37 UTC 2021
PRIMARY
FDA UNII
24KFS7IE11
Created by admin on Sat Jun 26 04:14:37 UTC 2021 , Edited by admin on Sat Jun 26 04:14:37 UTC 2021
PRIMARY
PUBCHEM
138319987
Created by admin on Sat Jun 26 04:14:37 UTC 2021 , Edited by admin on Sat Jun 26 04:14:37 UTC 2021
PRIMARY
Related Record Type Details
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