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

Details

Stereochemistry RACEMIC
Molecular Formula C13H13Cl3O4
Molecular Weight 339.599
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(2,3-DICHLORO-4-(2-(CHLOROMETHYL)-1-OXOBUTYL)PHENOXY)ACETIC ACID

SMILES

CCC(CCl)C(=O)C1=C(Cl)C(Cl)=C(OCC(O)=O)C=C1

InChI

InChIKey=KJIDNPIXCADRJY-UHFFFAOYSA-N
InChI=1S/C13H13Cl3O4/c1-2-7(5-14)13(19)8-3-4-9(12(16)11(8)15)20-6-10(17)18/h3-4,7H,2,5-6H2,1H3,(H,17,18)

HIDE SMILES / InChI

Molecular Formula C13H13Cl3O4
Molecular Weight 339.599
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 19:00:08 UTC 2023
Edited
by admin
on Sat Dec 16 19:00:08 UTC 2023
Record UNII
HBU9J7V4FZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(2,3-DICHLORO-4-(2-(CHLOROMETHYL)-1-OXOBUTYL)PHENOXY)ACETIC ACID
Systematic Name English
ACETIC ACID, 2-(2,3-DICHLORO-4-(2-(CHLOROMETHYL)-1-OXOBUTYL)PHENOXY)-
Systematic Name English
ETACRYNIC ACID IMPURITY B [EP IMPURITY]
Common Name English
(2,3-DICHLORO-4-(2-(CHLOROMETHYL)BUTANOYL)PHENOXY)ACETIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
HBU9J7V4FZ
Created by admin on Sat Dec 16 19:00:09 UTC 2023 , Edited by admin on Sat Dec 16 19:00:09 UTC 2023
PRIMARY
PUBCHEM
131877060
Created by admin on Sat Dec 16 19:00:09 UTC 2023 , Edited by admin on Sat Dec 16 19:00:09 UTC 2023
PRIMARY
CAS
27929-18-6
Created by admin on Sat Dec 16 19:00:09 UTC 2023 , Edited by admin on Sat Dec 16 19:00:09 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP