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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H9N3O5S
Molecular Weight 283.261
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-NITRO-SULFAMETHOXAZOLE

SMILES

CC1=CC(NS(=O)(=O)C2=CC=C(C=C2)[N+]([O-])=O)=NO1

InChI

InChIKey=XHJLDAHBWWMCRZ-UHFFFAOYSA-N
InChI=1S/C10H9N3O5S/c1-7-6-10(11-18-7)12-19(16,17)9-4-2-8(3-5-9)13(14)15/h2-6H,1H3,(H,11,12)

HIDE SMILES / InChI

Molecular Formula C10H9N3O5S
Molecular Weight 283.261
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 18:47:51 GMT 2023
Edited
by admin
on Sat Dec 16 18:47:51 GMT 2023
Record UNII
RUX9Z8AS99
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-NITRO-SULFAMETHOXAZOLE
Common Name English
NITROSULFAMETHOXAZOLE
Common Name English
BENZENESULFONAMIDE, N-(5-METHYL-3-ISOXAZOLYL)-4-NITRO-
Systematic Name English
N-(5-METHYLISOXAZOL-3-YL)-4-NITROBENZENESULFONAMIDE
Systematic Name English
Code System Code Type Description
CAS
29699-89-6
Created by admin on Sat Dec 16 18:47:51 GMT 2023 , Edited by admin on Sat Dec 16 18:47:51 GMT 2023
PRIMARY
FDA UNII
RUX9Z8AS99
Created by admin on Sat Dec 16 18:47:51 GMT 2023 , Edited by admin on Sat Dec 16 18:47:51 GMT 2023
PRIMARY
EPA CompTox
DTXSID20352058
Created by admin on Sat Dec 16 18:47:51 GMT 2023 , Edited by admin on Sat Dec 16 18:47:51 GMT 2023
PRIMARY
PUBCHEM
717516
Created by admin on Sat Dec 16 18:47:51 GMT 2023 , Edited by admin on Sat Dec 16 18:47:51 GMT 2023
PRIMARY
Related Record Type Details
PARENT->METABOLITE REACTIVE TYPE