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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H20ClNO3
Molecular Weight 381.852
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GSK-345931A FREE ACID

SMILES

CC(C)COC1=CC=C(Cl)C=C1C2=CC=CC=C2C3=CC=CC(=N3)C(O)=O

InChI

InChIKey=RVMVCPKCWWFOEL-UHFFFAOYSA-N
InChI=1S/C22H20ClNO3/c1-14(2)13-27-21-11-10-15(23)12-18(21)16-6-3-4-7-17(16)19-8-5-9-20(24-19)22(25)26/h3-12,14H,13H2,1-2H3,(H,25,26)

HIDE SMILES / InChI

Molecular Formula C22H20ClNO3
Molecular Weight 381.852
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 Mon Mar 31 22:38:29 GMT 2025
Edited
by admin
on Mon Mar 31 22:38:29 GMT 2025
Record UNII
B9YA0LQP80
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GSK-345931A FREE ACID
Common Name English
2-PYRIDINECARBOXYLIC ACID, 6-(5'-CHLORO-2'-(2-METHYLPROPOXY)(1,1'-BIPHENYL)-2-YL)-
Preferred Name English
Code System Code Type Description
FDA UNII
B9YA0LQP80
Created by admin on Mon Mar 31 22:38:29 GMT 2025 , Edited by admin on Mon Mar 31 22:38:29 GMT 2025
PRIMARY
CAS
869534-13-4
Created by admin on Mon Mar 31 22:38:29 GMT 2025 , Edited by admin on Mon Mar 31 22:38:29 GMT 2025
PRIMARY
PUBCHEM
11545879
Created by admin on Mon Mar 31 22:38:29 GMT 2025 , Edited by admin on Mon Mar 31 22:38:29 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY