U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H19F8N5O3
Molecular Weight 505.3624
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LC-15-0636

SMILES

N[C@H](CN1[C@@H](O)C(F)(F)CCC1=O)CC(=O)N2CCC3=C(N=C(N=C3C2)C(F)(F)F)C(F)(F)F

InChI

InChIKey=DMXWXVXGQLCKOY-AYVTZFPOSA-N
InChI=1S/C18H19F8N5O3/c19-16(20)3-1-11(32)31(15(16)34)6-8(27)5-12(33)30-4-2-9-10(7-30)28-14(18(24,25)26)29-13(9)17(21,22)23/h8,15,34H,1-7,27H2/t8-,15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H19F8N5O3
Molecular Weight 505.3624
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 07:57:42 GMT 2025
Edited
by admin
on Wed Apr 02 07:57:42 GMT 2025
Record UNII
FK527M26GN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LC15-0636
Preferred Name English
LC-15-0636
Code English
2-PIPERIDINONE, 1-((2S)-2-AMINO-4-(5,8-DIHYDRO-2,4-BIS(TRIFLUOROMETHYL)PYRIDO(3,4-D)PYRIMIDIN-7(6H)-YL)-4-OXOBUTYL)-5,5-DIFLUORO-6-HYDROXY-, (6S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
42635875
Created by admin on Wed Apr 02 07:57:42 GMT 2025 , Edited by admin on Wed Apr 02 07:57:42 GMT 2025
PRIMARY
FDA UNII
FK527M26GN
Created by admin on Wed Apr 02 07:57:42 GMT 2025 , Edited by admin on Wed Apr 02 07:57:42 GMT 2025
PRIMARY
CAS
1173174-99-6
Created by admin on Wed Apr 02 07:57:42 GMT 2025 , Edited by admin on Wed Apr 02 07:57:42 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
FECAL
PARENT -> METABOLITE
URINE
PARENT -> METABOLITE
Six metabolites were detected, but only LC15-0636, the two times more potent active metabolite than gemigliptin
MAJOR
PLASMA