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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H8ClO4.Na
Molecular Weight 238.6
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CLOXYFONAC-SODIUM

SMILES

[Na+].OCC1=C(OCC([O-])=O)C=CC(Cl)=C1

InChI

InChIKey=KJBSWAMTBIEBMP-UHFFFAOYSA-M
InChI=1S/C9H9ClO4.Na/c10-7-1-2-8(6(3-7)4-11)14-5-9(12)13;/h1-3,11H,4-5H2,(H,12,13);/q;+1/p-1

HIDE SMILES / InChI

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

Molecular Formula C9H8ClO4
Molecular Weight 215.61
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Analysis of phenoxyacetic acid herbicides as biomarkers in human urine using liquid chromatography/triple quadrupole mass spectrometry.
2008
Substance Class Chemical
Created
by admin
on Sat Dec 16 07:50:43 GMT 2023
Edited
by admin
on Sat Dec 16 07:50:43 GMT 2023
Record UNII
VR2B8SL880
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CLOXYFONAC-SODIUM
ISO  
Common Name English
RP-7194
Code English
CLOXYFONAC SODIUM SALT
Systematic Name English
SODIUM (4-CHLORO-2-(HYDROXYMETHYL)PHENOXY)ACETATE
Systematic Name English
CLOXYFONAC-SODIUM [ISO]
Common Name English
ACETIC ACID, 2-(4-CHLORO-2-(HYDROXYMETHYL)PHENOXY)-, SODIUM SALT (1:1)
Systematic Name English
ACETIC ACID, ((4-CHLORO-.ALPHA.-HYDROXY-O-TOLYL)OXY)-, SODIUM SALT
Systematic Name English
Code System Code Type Description
ALANWOOD
cloxyfonac-sodium
Created by admin on Sat Dec 16 07:50:43 GMT 2023 , Edited by admin on Sat Dec 16 07:50:43 GMT 2023
PRIMARY
EPA CompTox
DTXSID20186456
Created by admin on Sat Dec 16 07:50:43 GMT 2023 , Edited by admin on Sat Dec 16 07:50:43 GMT 2023
PRIMARY
FDA UNII
VR2B8SL880
Created by admin on Sat Dec 16 07:50:43 GMT 2023 , Edited by admin on Sat Dec 16 07:50:43 GMT 2023
PRIMARY
PUBCHEM
23674044
Created by admin on Sat Dec 16 07:50:43 GMT 2023 , Edited by admin on Sat Dec 16 07:50:43 GMT 2023
PRIMARY
CAS
32791-87-0
Created by admin on Sat Dec 16 07:50:43 GMT 2023 , Edited by admin on Sat Dec 16 07:50:43 GMT 2023
PRIMARY