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

Details

Stereochemistry RACEMIC
Molecular Formula C9H8Cl2O3
Molecular Weight 235.064
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,6-DICHLOROPHENOXY-.ALPHA.-PROPIONIC ACID

SMILES

CC(OC1=C(Cl)C=CC=C1Cl)C(O)=O

InChI

InChIKey=JTSKVVDMNKQPAO-UHFFFAOYSA-N
InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-6(10)3-2-4-7(8)11/h2-5H,1H3,(H,12,13)

HIDE SMILES / InChI

Molecular Formula C9H8Cl2O3
Molecular Weight 235.064
Charge 0
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 15:12:14 GMT 2023
Edited
by admin
on Sat Dec 16 15:12:14 GMT 2023
Record UNII
WC5DE0C9OD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,6-DICHLOROPHENOXY-.ALPHA.-PROPIONIC ACID
Systematic Name English
2-(2,6-DICHLOROPHENOXY)PROPANOIC ACID
Systematic Name English
LOFEXIDINE METABOLITE (LDPA)
Common Name English
PROPANOIC ACID, 2-(2,6-DICHLOROPHENOXY)-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
246-650-0
Created by admin on Sat Dec 16 15:12:14 GMT 2023 , Edited by admin on Sat Dec 16 15:12:14 GMT 2023
PRIMARY
PUBCHEM
91290
Created by admin on Sat Dec 16 15:12:14 GMT 2023 , Edited by admin on Sat Dec 16 15:12:14 GMT 2023
PRIMARY
CAS
25140-90-3
Created by admin on Sat Dec 16 15:12:14 GMT 2023 , Edited by admin on Sat Dec 16 15:12:14 GMT 2023
PRIMARY
EPA CompTox
DTXSID90948003
Created by admin on Sat Dec 16 15:12:14 GMT 2023 , Edited by admin on Sat Dec 16 15:12:14 GMT 2023
PRIMARY
FDA UNII
WC5DE0C9OD
Created by admin on Sat Dec 16 15:12:14 GMT 2023 , Edited by admin on Sat Dec 16 15:12:14 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE
MAJOR