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

Details

Stereochemistry RACEMIC
Molecular Formula C16H8ClFNO4.K
Molecular Weight 371.789
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of A-53385 POTASSIUM

SMILES

[K+].[O-]C(=O)C1CC2=CC3=C(ON=C3C4=C(F)C=CC=C4)C(Cl)=C2O1

InChI

InChIKey=KXVORPOLZSNEGK-UHFFFAOYSA-M
InChI=1S/C16H9ClFNO4.K/c17-12-14-7(6-11(22-14)16(20)21)5-9-13(19-23-15(9)12)8-3-1-2-4-10(8)18;/h1-5,11H,6H2,(H,20,21);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula K
Molecular Weight 39.0983
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C16H8ClFNO4
Molecular Weight 332.69
Charge -1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:41:49 GMT 2023
Edited
by admin
on Sat Dec 16 09:41:49 GMT 2023
Record UNII
6VN7K834WQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
A-53385 POTASSIUM
Common Name English
FURO(3,2-F)-1,2-BENZISOXAZOLE-6-CARBOXYLIC ACID, 8-CHLORO-3-(2-FLUOROPHENYL)-5,6-DIHYDRO-, POTASSIUM SALT (1:1)
Systematic Name English
A-56234 ANHYDROUS
Common Name English
Code System Code Type Description
CAS
90247-09-9
Created by admin on Sat Dec 16 09:41:49 GMT 2023 , Edited by admin on Sat Dec 16 09:41:49 GMT 2023
PRIMARY
PUBCHEM
23670632
Created by admin on Sat Dec 16 09:41:49 GMT 2023 , Edited by admin on Sat Dec 16 09:41:49 GMT 2023
PRIMARY
EPA CompTox
DTXSID701009274
Created by admin on Sat Dec 16 09:41:49 GMT 2023 , Edited by admin on Sat Dec 16 09:41:49 GMT 2023
PRIMARY
FDA UNII
6VN7K834WQ
Created by admin on Sat Dec 16 09:41:49 GMT 2023 , Edited by admin on Sat Dec 16 09:41:49 GMT 2023
PRIMARY