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Details

Stereochemistry ACHIRAL
Molecular Formula C17H19N5O2S
Molecular Weight 357.43
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GS-829845

SMILES

NC1=NN2C(C=CC=C2C3=CC=C(CN4CCS(=O)(=O)CC4)C=C3)=N1

InChI

InChIKey=BYWJAVQGRJEEHH-UHFFFAOYSA-N
InChI=1S/C17H19N5O2S/c18-17-19-16-3-1-2-15(22(16)20-17)14-6-4-13(5-7-14)12-21-8-10-25(23,24)11-9-21/h1-7H,8-12H2,(H2,18,20)

HIDE SMILES / InChI

Molecular Formula C17H19N5O2S
Molecular Weight 357.43
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 16:22:34 GMT 2025
Edited
by admin
on Wed Apr 02 16:22:34 GMT 2025
Record UNII
XHF94L8HXD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Filgotinib Metabolite M2
Preferred Name English
GS-829845
Common Name English
[1,2,4]Triazolo[1,5-a]pyridin-2-amine, 5-[4-[(1,1-dioxido-4-thiomorpholinyl)methyl]phenyl]-
Systematic Name English
4-[4-(2-Amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzyl]thiomorpholine-1,1-dioxide
Systematic Name English
Code System Code Type Description
CAS
1257705-09-1
Created by admin on Wed Apr 02 16:22:34 GMT 2025 , Edited by admin on Wed Apr 02 16:22:34 GMT 2025
PRIMARY
FDA UNII
XHF94L8HXD
Created by admin on Wed Apr 02 16:22:34 GMT 2025 , Edited by admin on Wed Apr 02 16:22:34 GMT 2025
PRIMARY
PUBCHEM
67479440
Created by admin on Wed Apr 02 16:22:34 GMT 2025 , Edited by admin on Wed Apr 02 16:22:34 GMT 2025
PRIMARY
Related Record Type Details
BINDER->LIGAND
BINDING
Related Record Type Details
PARENT -> METABOLITE LESS ACTIVE
URINE
PARENT -> METABOLITE LESS ACTIVE
FECAL
PARENT -> METABOLITE LESS ACTIVE
Although 10 fold less active present at 16-20 higher in plasma.
PLASMA