LSA

1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE

Created: 2007-06-05
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count17
Chiral Atom Count0
Bond Count18
Aromatic Bond Count6
2D diagram of LSA
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Chemical Component Summary

Name1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE
SynonymsSACCHARIN
Systematic Name (OpenEye OEToolkits)1,1-dioxo-1,2-benzothiazol-3-one
FormulaC7 H5 N O3 S
Molecular Weight183.184
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C2c1ccccc1S(=O)(=O)N2
SMILESCACTVS3.341O=C1N[S](=O)(=O)c2ccccc12
SMILESOpenEye OEToolkits1.5.0c1ccc2c(c1)C(=O)NS2(=O)=O
Canonical SMILESCACTVS3.341 O=C1N[S](=O)(=O)c2ccccc12
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc2c(c1)C(=O)NS2(=O)=O
InChIInChI1.03 InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
InChIKeyInChI1.03 CVHZOJJKTDOEJC-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB12418 
NameSaccharin
Groups investigational
DescriptionSaccharin has been investigated for the treatment of Hypertension and Hyperglycemia.
Synonyms
  • Saccharin potassium
  • Saccharin
  • Saccharin sodium
  • Saccharin calcium
Categories
  • Benzothiazoles
  • Compounds used in a research, industrial, or household setting
  • Diet, Food, and Nutrition
  • Flavoring Agents
  • Food
CAS number81-07-2

Drug Targets

NameTarget SequencePharmacological ActionActions
Carbonic anhydrase 3MAKEWGYASHNGPDHWHELFPNAKGENQSPVELHTKDIRHDPSLQPWSVS...unknowninhibitor
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL310671
PubChem 5143
ChEMBL CHEMBL310671
ChEBI CHEBI:32111
CCDC/CSD SCCHRN07, RABBED, SCCHRN03, SCCHRN06, RUZZUI, IHEJEK, HORNEI, ADECIW01, MULPOB, VIGFOH, MULPIV, MULNOZ, VUHFIO, SCCHRN04, SCCHRN02, OTESAI, OTESEM, VAMBIX01, UNEZAO, LATQOO, ADECIW, UFERED01, VAMBIX, RABBAZ, SCCHRN01, SCCHRN, WOVLEY, UFERED03, VUHFIO01, UFERED, QOGHUQ, UFERED05, UFERED04, UFERED06, UFERED02, UFERED07, MOVDAF, UNEZAO01, BEXVOP, WUWREM, EYEJAW, WUWREM02, UWEYON, UDEFAO, WUWREM01, UDEDOA
COD 7226402, 2300331, 2300421, 7118328, 2300332, 2300422, 2206019, 2209282, 7118329