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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H27N5O8S
Molecular Weight 533.554
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GS-829845 N-Glucuronide

SMILES

O[C@@H]1[C@@H](O)[C@H](NC2=NN3C(C=CC=C3C4=CC=C(CN5CCS(=O)(=O)CC5)C=C4)=N2)O[C@@H]([C@H]1O)C(O)=O

InChI

InChIKey=HSYNDULUYWXVQJ-JRSUCEMESA-N
InChI=1S/C23H27N5O8S/c29-17-18(30)20(22(32)33)36-21(19(17)31)25-23-24-16-3-1-2-15(28(16)26-23)14-6-4-13(5-7-14)12-27-8-10-37(34,35)11-9-27/h1-7,17-21,29-31H,8-12H2,(H,25,26)(H,32,33)/t17-,18-,19+,20-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H27N5O8S
Molecular Weight 533.554
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:15:40 GMT 2023
Edited
by admin
on Sat Dec 16 19:15:40 GMT 2023
Record UNII
LG4AGL7TGW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GS-829845 N-Glucuronide
Common Name English
Filgotinib deacyl-N-glucuronide
Common Name English
Code System Code Type Description
PUBCHEM
166451412
Created by admin on Sat Dec 16 19:15:41 GMT 2023 , Edited by admin on Sat Dec 16 19:15:41 GMT 2023
PRIMARY
FDA UNII
LG4AGL7TGW
Created by admin on Sat Dec 16 19:15:41 GMT 2023 , Edited by admin on Sat Dec 16 19:15:41 GMT 2023
PRIMARY
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