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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H9NO5S
Molecular Weight 255.247
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2H-1,2-BENZOTHIAZINE-3-CARBOXYLIC ACID, 4-HYDROXY-2-METHYL-, 1,1-DIOXIDE

SMILES

CN1C(C(O)=O)=C(O)C2=CC=CC=C2S1(=O)=O

InChI

InChIKey=HTZOXRHYFAORSJ-UHFFFAOYSA-N
InChI=1S/C10H9NO5S/c1-11-8(10(13)14)9(12)6-4-2-3-5-7(6)17(11,15)16/h2-5,12H,1H3,(H,13,14)

HIDE SMILES / InChI

Molecular Formula C10H9NO5S
Molecular Weight 255.247
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 13:45:18 UTC 2023
Edited
by admin
on Sat Dec 16 13:45:18 UTC 2023
Record UNII
UW2JN74TJL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2H-1,2-BENZOTHIAZINE-3-CARBOXYLIC ACID, 4-HYDROXY-2-METHYL-, 1,1-DIOXIDE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20715801
Created by admin on Sat Dec 16 13:45:18 UTC 2023 , Edited by admin on Sat Dec 16 13:45:18 UTC 2023
PRIMARY
PUBCHEM
54687244
Created by admin on Sat Dec 16 13:45:18 UTC 2023 , Edited by admin on Sat Dec 16 13:45:18 UTC 2023
PRIMARY
CAS
88741-92-8
Created by admin on Sat Dec 16 13:45:18 UTC 2023 , Edited by admin on Sat Dec 16 13:45:18 UTC 2023
PRIMARY
FDA UNII
UW2JN74TJL
Created by admin on Sat Dec 16 13:45:18 UTC 2023 , Edited by admin on Sat Dec 16 13:45:18 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Intermediate metabolite of Piroxicam to Saccharin