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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H9NO5S.H2O
Molecular Weight 273.262
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 4-hydroxy-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide monohydrate

SMILES

O.COC(=O)C1=C(O)C2=CC=CC=C2S(=O)(=O)N1

InChI

InChIKey=CBFSSRBAMYZTNK-UHFFFAOYSA-N
InChI=1S/C10H9NO5S.H2O/c1-16-10(13)8-9(12)6-4-2-3-5-7(6)17(14,15)11-8;/h2-5,11-12H,1H3;1H2

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

Molecular Formula H2O
Molecular Weight 18.0153
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 19:12:43 UTC 2023
Edited
by admin
on Sat Dec 16 19:12:43 UTC 2023
Record UNII
V5TFL2EF6U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl 4-hydroxy-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide monohydrate
Systematic Name English
2H-1,2-Benzothiazine-3-carboxylic acid, 4-hydroxy-, methyl ester, 1,1-dioxide, hydrate (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
164888955
Created by admin on Sat Dec 16 19:12:43 UTC 2023 , Edited by admin on Sat Dec 16 19:12:43 UTC 2023
PRIMARY
FDA UNII
V5TFL2EF6U
Created by admin on Sat Dec 16 19:12:43 UTC 2023 , Edited by admin on Sat Dec 16 19:12:43 UTC 2023
PRIMARY
CAS
2767988-85-0
Created by admin on Sat Dec 16 19:12:43 UTC 2023 , Edited by admin on Sat Dec 16 19:12:43 UTC 2023
PRIMARY