U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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 Sat Dec 16 16:32:22 GMT 2023
Edited
by admin
on Sat Dec 16 16:32:22 GMT 2023
Record UNII
FK527M26GN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LC-15-0636
Code English
LC15-0636
Common Name 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 Sat Dec 16 16:32:22 GMT 2023 , Edited by admin on Sat Dec 16 16:32:22 GMT 2023
PRIMARY
FDA UNII
FK527M26GN
Created by admin on Sat Dec 16 16:32:22 GMT 2023 , Edited by admin on Sat Dec 16 16:32:22 GMT 2023
PRIMARY
CAS
1173174-99-6
Created by admin on Sat Dec 16 16:32:22 GMT 2023 , Edited by admin on Sat Dec 16 16:32:22 GMT 2023
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