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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=CC(=CC(=C1OC2=CC=CC=C2)[N+]([O-])=O)C(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 Thu Jul 06 16:38:15 UTC 2023
Edited
by admin
on Thu Jul 06 16:38:15 UTC 2023
Record UNII
P531HR643J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
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
BUMETANIDE IMPURITY A [EP IMPURITY]
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
248-970-6
Created by admin on Thu Jul 06 16:38:15 UTC 2023 , Edited by admin on Thu Jul 06 16:38:15 UTC 2023
PRIMARY
PUBCHEM
119926
Created by admin on Thu Jul 06 16:38:15 UTC 2023 , Edited by admin on Thu Jul 06 16:38:15 UTC 2023
PRIMARY
CAS
28328-53-2
Created by admin on Thu Jul 06 16:38:15 UTC 2023 , Edited by admin on Thu Jul 06 16:38:15 UTC 2023
PRIMARY
FDA UNII
P531HR643J
Created by admin on Thu Jul 06 16:38:15 UTC 2023 , Edited by admin on Thu Jul 06 16:38:15 UTC 2023
PRIMARY
RS_ITEM_NUM
1078336
Created by admin on Thu Jul 06 16:38:15 UTC 2023 , Edited by admin on Thu Jul 06 16:38:15 UTC 2023
PRIMARY
EPA CompTox
DTXSID40951022
Created by admin on Thu Jul 06 16:38:15 UTC 2023 , Edited by admin on Thu Jul 06 16:38:15 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (TLC)
USP