saccharin (CHEBI:32111)

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ChEBI Name	saccharin

ChEBI ID	CHEBI:32111

Definition	A 1,2-benzisothiazole having a keto-group at the 3-position and two oxo substituents at the 1-position. It is used as an artificial sweetening agent.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:49717

Supplier Information	ChemicalBook:CB7757516, eMolecules:511372, ZINC000006896340

Download	Molfile XML SDF

Wikipedia	License
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Formula

C7H5NO3S

Net Charge

Average Mass

183.18500

Monoisotopic Mass

182.99901

InChI

InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)

InChIKey

CVHZOJJKTDOEJC-UHFFFAOYSA-N

SMILES

O=C1NS(=O)(=O)c2ccccc12

Roles Classification
Chemical Role(s):	environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects.

Biological Role(s):	sweetening agent Substance that sweeten food, beverages, medications, etc. xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.

Application(s):	sweetening agent Substance that sweeten food, beverages, medications, etc.

ChEBI Ontology
Outgoing	saccharin (CHEBI:32111) has role environmental contaminant (CHEBI:78298) saccharin (CHEBI:32111) has role sweetening agent (CHEBI:50505) saccharin (CHEBI:32111) has role xenobiotic (CHEBI:35703) saccharin (CHEBI:32111) is a 1,2-benzisothiazole (CHEBI:55505) saccharin (CHEBI:32111) is a N-sulfonylcarboxamide (CHEBI:90852)

Incoming	probenazole (CHEBI:81778) has functional parent saccharin (CHEBI:32111)

IUPAC Name

1,2-benzisothiazol-3(2H)-one 1,1-dioxide

Synonyms	Sources
1,1-Dioxo-1,2-benzisothiazol-3(2H)-one	NIST Chemistry WebBook
1,1-Dioxo-1,2-dihydro-benzo[d]isothiazol-3-one	NIST Chemistry WebBook
1,2-Benzisothiazol-3(2H)-one 1,1-dioxide	ChemIDplus
1,2-Benzisothiazolin-3-one 1,1-dioxide	NIST Chemistry WebBook
1,2-Dihydro-2-ketobenzisosulfonazole	ChemIDplus
1,2-Dihydro-2-ketobenzisosulphonazole	ChemIDplus
2,3-Dihydro-3-oxobenzisosulfonazole	ChemIDplus
2,3-Dihydro-3-oxobenzisosulphonazole	ChemIDplus
3-Hydroxybenzisothiazole-S,S-dioxide	ChemIDplus
Anhydro-o-sulfaminebenzoic acid	ChemIDplus
Benzo-2-sulphimide	ChemIDplus
Benzoic acid sulfimide	ChemIDplus
Benzoic sulfimide	ChemIDplus
Benzoic sulphimide	ChemIDplus
Benzosulfimide	ChemIDplus
Benzosulphimide	ChemIDplus
Benzoylsulfonic Imide	ChemIDplus
o-Benzoic sulfimide	ChemIDplus
o-Benzosulfimide	ChemIDplus
o-Sulfobenzimide	ChemIDplus
o-Sulfobenzoic acid imide	ChemIDplus
Saccharimide	ChemIDplus
Saccharin	KEGG DRUG
Saccharine	ChemIDplus

Last Modified

07 January 2016