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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H28N8O2
Molecular Weight 472.5432
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LINAGLIPTIN S ISOMER

SMILES

CC#CCn1c2c(nc1N3CCC[C@@]([H])(C3)N)n(C)c(=O)n(Cc4nc(C)c5ccccc5n4)c2=O

InChI

InChIKey=LTXREWYXXSTFRX-KRWDZBQOSA-N
InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H28N8O2
Molecular Weight 472.5432
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 Fri Jun 25 20:34:14 UTC 2021
Edited
by admin
on Fri Jun 25 20:34:14 UTC 2021
Record UNII
2U6HE75USV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LINAGLIPTIN S ISOMER
Common Name English
LINAGLIPTIN IMPURITY G
Common Name English
1H-PURINE-2,6-DIONE, 8-((3S)-3-AMINO-1-PIPERIDINYL)-7-(2-BUTYN-1-YL)-3,7-DIHYDRO-3-METHYL-1-((4-METHYL-2-QUINAZOLINYL)METHYL)-
Systematic Name English
Code System Code Type Description
CAS
668270-11-9
Created by admin on Fri Jun 25 20:34:14 UTC 2021 , Edited by admin on Fri Jun 25 20:34:14 UTC 2021
PRIMARY
FDA UNII
2U6HE75USV
Created by admin on Fri Jun 25 20:34:14 UTC 2021 , Edited by admin on Fri Jun 25 20:34:14 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY