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

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H13ClN2O4
Molecular Weight 344.749
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of XK-469 FREE ACID, (S)-

SMILES

C[C@H](OC1=CC=C(OC2=NC3=CC(Cl)=CC=C3N=C2)C=C1)C(O)=O

InChI

InChIKey=NUQZXROIVGBRGR-JTQLQIEISA-N
InChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-14-7-2-11(18)8-15(14)20-16/h2-10H,1H3,(H,21,22)/t10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H13ClN2O4
Molecular Weight 344.749
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:23:38 GMT 2023
Edited
by admin
on Sat Dec 16 09:23:38 GMT 2023
Record UNII
677U279455
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
XK-469 FREE ACID, (S)-
Common Name English
NSC-698216
Code English
PROPANOIC ACID, 2-(4-((7-CHLORO-2-QUINOXALINYL)OXY)PHENOXY)-, (2S)-
Systematic Name English
Code System Code Type Description
NSC
698216
Created by admin on Sat Dec 16 09:23:38 GMT 2023 , Edited by admin on Sat Dec 16 09:23:38 GMT 2023
PRIMARY
CAS
157542-92-2
Created by admin on Sat Dec 16 09:23:38 GMT 2023 , Edited by admin on Sat Dec 16 09:23:38 GMT 2023
PRIMARY
FDA UNII
677U279455
Created by admin on Sat Dec 16 09:23:38 GMT 2023 , Edited by admin on Sat Dec 16 09:23:38 GMT 2023
PRIMARY
PUBCHEM
5351443
Created by admin on Sat Dec 16 09:23:38 GMT 2023 , Edited by admin on Sat Dec 16 09:23:38 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY