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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H12N2O5S
Molecular Weight 308.31
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-AMINO-4-PHENOXY-5-SULFAMOYLBENZOIC ACID

SMILES

NC1=C(OC2=CC=CC=C2)C(=CC(=C1)C(O)=O)S(N)(=O)=O

InChI

InChIKey=GVQZPZSQRCXSJI-UHFFFAOYSA-N
InChI=1S/C13H12N2O5S/c14-10-6-8(13(16)17)7-11(21(15,18)19)12(10)20-9-4-2-1-3-5-9/h1-7H,14H2,(H,16,17)(H2,15,18,19)

HIDE SMILES / InChI

Molecular Formula C13H12N2O5S
Molecular Weight 308.31
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 18:33:43 GMT 2023
Edited
by admin
on Sat Dec 16 18:33:43 GMT 2023
Record UNII
9D69CZ7VGU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-AMINO-4-PHENOXY-5-SULFAMOYLBENZOIC ACID
Systematic Name English
3-AMINO-5-(AMINOSULFONYL)-4-PHENOXYBENZOIC ACID
Systematic Name English
BUMETANIDE RELATED COMPOUND A [USP-RS]
Common Name English
BENZOIC ACID, 3-AMINO-5-(AMINOSULFONYL)-4-PHENOXY-
Systematic Name English
BUMETANIDE RELATED COMPOUND A [USP IMPURITY]
Common Name English
DESBUTYLBUMETANIDE
Common Name English
BUMETANIDE IMPURITY B [EP IMPURITY]
Common Name English
Code System Code Type Description
RS_ITEM_NUM
1078325
Created by admin on Sat Dec 16 18:33:43 GMT 2023 , Edited by admin on Sat Dec 16 18:33:43 GMT 2023
PRIMARY
ECHA (EC/EINECS)
248-971-1
Created by admin on Sat Dec 16 18:33:43 GMT 2023 , Edited by admin on Sat Dec 16 18:33:43 GMT 2023
PRIMARY
PUBCHEM
119927
Created by admin on Sat Dec 16 18:33:43 GMT 2023 , Edited by admin on Sat Dec 16 18:33:43 GMT 2023
PRIMARY
FDA UNII
9D69CZ7VGU
Created by admin on Sat Dec 16 18:33:43 GMT 2023 , Edited by admin on Sat Dec 16 18:33:43 GMT 2023
PRIMARY
EPA CompTox
DTXSID10182568
Created by admin on Sat Dec 16 18:33:43 GMT 2023 , Edited by admin on Sat Dec 16 18:33:43 GMT 2023
PRIMARY
CAS
28328-54-3
Created by admin on Sat Dec 16 18:33:43 GMT 2023 , Edited by admin on Sat Dec 16 18:33:43 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (TLC)
USP