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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H11BrClNO2
Molecular Weight 340.6
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(2-((2-BROMO-6-CHLOROPHENYL)AMINO)PHENYL)ACETIC ACID

SMILES

OC(=O)CC1=CC=CC=C1NC2=C(Cl)C=CC=C2Br

InChI

InChIKey=RABKUCPRNJPBRH-UHFFFAOYSA-N
InChI=1S/C14H11BrClNO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)

HIDE SMILES / InChI

Molecular Formula C14H11BrClNO2
Molecular Weight 340.6
Charge 0
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 03:27:49 UTC 2023
Edited
by admin
on Sat Dec 16 03:27:49 UTC 2023
Record UNII
BM90YC1N04
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(2-((2-BROMO-6-CHLOROPHENYL)AMINO)PHENYL)ACETIC ACID
Systematic Name English
DICLOFENAC IMPURITY D
Common Name English
BENZENEACETIC ACID, 2-((2-BROMO-6-CHLOROPHENYL)AMINO)-
Common Name English
DICLOFENAC POTASSIUM IMPURITY D [EP IMPURITY]
Common Name English
DICLOFENAC SODIUM IMPURITY D [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
14762937
Created by admin on Sat Dec 16 03:27:49 UTC 2023 , Edited by admin on Sat Dec 16 03:27:49 UTC 2023
PRIMARY
EPA CompTox
DTXSID40155669
Created by admin on Sat Dec 16 03:27:49 UTC 2023 , Edited by admin on Sat Dec 16 03:27:49 UTC 2023
PRIMARY
CAS
127792-23-8
Created by admin on Sat Dec 16 03:27:49 UTC 2023 , Edited by admin on Sat Dec 16 03:27:49 UTC 2023
PRIMARY
FDA UNII
BM90YC1N04
Created by admin on Sat Dec 16 03:27:49 UTC 2023 , Edited by admin on Sat Dec 16 03:27:49 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP