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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H7NO4S
Molecular Weight 213.21
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,2-BENZISOXAZOLE-3-METHANESULFONIC ACID

SMILES

OS(=O)(=O)CC1=NOC2=C1C=CC=C2

InChI

InChIKey=BNWNQJBNOQDMHB-UHFFFAOYSA-N
InChI=1S/C8H7NO4S/c10-14(11,12)5-7-6-3-1-2-4-8(6)13-9-7/h1-4H,5H2,(H,10,11,12)

HIDE SMILES / InChI

Molecular Formula C8H7NO4S
Molecular Weight 213.21
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Novel base catalysed rearrangement of sultone oximes to 1,2-benzisoxazole-3-methane sulfonate derivatives.
2007 Jun 8
Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:48:02 UTC 2023
Edited
by admin
on Sat Dec 16 10:48:02 UTC 2023
Record UNII
3BSD56MU5F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2-BENZISOXAZOLE-3-METHANESULFONIC ACID
Systematic Name English
ZONISAMIDE RELATED COMPOUND A (FREE ACID)
USP  
Common Name English
ZONISAMIDE RELATED COMPOUND A [USP IMPURITY]
Common Name English
ZONISAMIDE ACID
Common Name English
(BENZISOXAZOL-3-YL)METHANESULFONIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
9877771
Created by admin on Sat Dec 16 10:48:02 UTC 2023 , Edited by admin on Sat Dec 16 10:48:02 UTC 2023
PRIMARY
FDA UNII
3BSD56MU5F
Created by admin on Sat Dec 16 10:48:02 UTC 2023 , Edited by admin on Sat Dec 16 10:48:02 UTC 2023
PRIMARY
CAS
342623-49-8
Created by admin on Sat Dec 16 10:48:02 UTC 2023 , Edited by admin on Sat Dec 16 10:48:02 UTC 2023
PRIMARY
EPA CompTox
DTXSID10187831
Created by admin on Sat Dec 16 10:48:02 UTC 2023 , Edited by admin on Sat Dec 16 10:48:02 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP