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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H12ClN2O4.Na
Molecular Weight 366.731
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=OJENKXNXJPNEPU-PPHPATTJSA-M
InChI=1S/C17H13ClN2O4.Na/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);/q;+1/p-1/t10-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C17H12ClN2O4
Molecular Weight 343.741
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
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 Sat Dec 16 09:23:38 GMT 2023
Edited
by admin
on Sat Dec 16 09:23:38 GMT 2023
Record UNII
I5JER5221L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
XK-469, (S)-
Common Name English
S-(-)-XK-469
Common Name English
PROPANOIC ACID, 2-(4-((7-CHLORO-2-QUINOXALINYL)OXY)PHENOXY)-, SODIUM SALT (1:1), (2S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
6604050
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
157542-90-0
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
I5JER5221L
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