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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H10N2O7S
Molecular Weight 338.293
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(AMINOSULFONYL)-5-NITRO-4-PHENOXYBENZOIC ACID

SMILES

NS(=O)(=O)C1=C(OC2=CC=CC=C2)C(=CC(=C1)C(O)=O)[N+]([O-])=O

InChI

InChIKey=NXJUSSNAIUIVKY-UHFFFAOYSA-N
InChI=1S/C13H10N2O7S/c14-23(20,21)11-7-8(13(16)17)6-10(15(18)19)12(11)22-9-4-2-1-3-5-9/h1-7H,(H,16,17)(H2,14,20,21)

HIDE SMILES / InChI

Molecular Formula C13H10N2O7S
Molecular Weight 338.293
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 Mon Mar 31 23:36:01 GMT 2025
Edited
by admin
on Mon Mar 31 23:36:01 GMT 2025
Record UNII
P531HR643J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUMETANIDE IMPURITY A [EP IMPURITY]
Preferred Name English
3-(AMINOSULFONYL)-5-NITRO-4-PHENOXYBENZOIC ACID
Systematic Name English
BUMETANIDE RELATED COMPOUND B [USP IMPURITY]
Common Name English
BUMETANIDE RELATED COMPOUND B [USP-RS]
Common Name English
3-NITRO-4-PHENOXY-5-SULFAMOYLBENZOIC ACID
Systematic Name English
BENZOIC ACID, 3-(AMINOSULFONYL)-5-NITRO-4-PHENOXY-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
248-970-6
Created by admin on Mon Mar 31 23:36:01 GMT 2025 , Edited by admin on Mon Mar 31 23:36:01 GMT 2025
PRIMARY
PUBCHEM
119926
Created by admin on Mon Mar 31 23:36:01 GMT 2025 , Edited by admin on Mon Mar 31 23:36:01 GMT 2025
PRIMARY
CAS
28328-53-2
Created by admin on Mon Mar 31 23:36:01 GMT 2025 , Edited by admin on Mon Mar 31 23:36:01 GMT 2025
PRIMARY
FDA UNII
P531HR643J
Created by admin on Mon Mar 31 23:36:01 GMT 2025 , Edited by admin on Mon Mar 31 23:36:01 GMT 2025
PRIMARY
RS_ITEM_NUM
1078336
Created by admin on Mon Mar 31 23:36:01 GMT 2025 , Edited by admin on Mon Mar 31 23:36:01 GMT 2025
PRIMARY
EPA CompTox
DTXSID40951022
Created by admin on Mon Mar 31 23:36:01 GMT 2025 , Edited by admin on Mon Mar 31 23:36:01 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (TLC)
USP