Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0PJ5J)
DIG Name
Benzosulfimide
Synonyms    Click to Show/Hide the Synonyms of This DIG
saccharin; 81-07-2; o-Benzoic sulfimide; o-Sulfobenzimide; Saccharine; Saccharimide; Benzosulfimide; Benzoic sulfimide; Garantose; o-Benzosulfimide; Benzosulphimide; Saccharinose; Saccharinol; Gluside; Benzosulfinide; Hermesetas; Saccharol; Glucid; Sweeta; Saccharin acid; 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide; Benzoic sulphimide; Saccharin insoluble; Saccharina; Kandiset; Sacarina; Sucrette; Zaharina; Saxin; Sykose; Benzo-2-sulphimide; o-Benzoyl sulfimide; Sucre edulcor; o-Benzoic sulphimide; Benzoylsulfonic Imide; o-Sulfobenzoic acid imide; 1,2-Benzisothiazol-3(2H)-one 1,1-dioxide; o-Benzosulphimide; Insoluble saccharin; 550 Saccharine; Sacharin; Natreen; o-Benzoyl sulphimide; Anhydro-o-sulfaminebenzoic acid; 2,3-Dihydro-3-oxobenzisosulfonazole; 2-Sulphobenzoic imide; Benzoic acid sulfimide; Benzo[d]isothiazol-3(2H)-one 1,1-dioxide; 1,2-Dihydro-2-ketobenzisosulfonazole; 3-Benzisothiazolinone 1,1-dioxide; 3-Hydroxybenzisothiazole S,S-dioxide; 2,3-Dihydro-3-oxobenzisosulphonazole; 1,2-Dihydro-2-ketobenzisosulphonazole; 2-Sulfobenzoic acid imide; Rcra waste number U202; Saccharin, insoluble; 3-Hydroxybenzisothiazole-S,S-dioxide; Syncal; o-Benzoic acid sulfimide; Benzo-sulphinide; 1,2-Benzisothiazolin-3-one 1,1-dioxide; UNII-FST467XS7D; 1,1-dioxo-1,2-benzothiazol-3-one; Saccharin-d4; Cristallose; Crystallose; Kristallose; Willosetten; Madhurin; Sucromat; Sodium saccharin; Saccharin soluble; Sodium saccharide; Sodium saccharine; Soluble saccharin; 1,2-Benzisothiazolin-3-one, 1,1-dioxide; Saccharin, sodium; Saccharine soluble; Sodium saccharinate; FST467XS7D; Saccharin, sodium salt; Sodium o-benzosulfimide; 2,3-Dihydroxy-1,2-benzisothiazol-3-one-1,1-dioxide; 1,1-Dioxide-1,2-benzisothiazolin-3-one; CHEMBL310671; 1,1-Dioxo-1,2-benzisothiazol-3(2H)-one; 1,2-Benzothiazol-3(2H)-one 1,1-dioxide; CHEBI:32111; o-Sulfonbenzoic acid imide sodium salt; 1,1-Dioxo-1,2-dihydro-benzo[d]isothiazol-3-one; NSC-5349; MFCD00005866; 1,1-Diox-1,2-benzisothiazol-3-one; Saccharin, 98+%; NCGC00094918-03; E954; 1,1-Dioxo-1,2-dihydro-1lambda*6*-benzo[d]-isothiazol-3-one; Saccharin, soluble; 1,2-Benzisothiazoline-3-one 1,1-dioxide; DSSTox_CID_1251; 1,1-Dioxide-1,2-benzisothiazol-3(2H)-one; DSSTox_RID_76039; Sacharin [Czech]; DSSTox_GSID_21251; Saccharin and salts; Benzosulfimide, O-; Saccharin [USAN]; Sulfobenzimide, O-; 2,3-dihydro-1$l^{6},2-benzothiazole-1,1,3-trione; 2,3-Dihydro-1,2-benzoisothiazol-3-one-1,1-dioxide; Artificial sweetening substanz gendorf 450; Sodium 1,2 benzisothiazolin-3-one 1,1-dioxide; 128-44-9; CAS-81-07-2; Saccharin [NF]; NSC4867; NSC5731; 2-hydrobenzo[d]isothiazole-1,1,3-trione; LSA; HSDB 669; NSC 5349; NSC 5731; EINECS 201-321-0; RCRA waste no. U202; Glycophenol; Neosaccharin; AI3-38107; SR-01000389315; Benzo-2-sulfiide; O-Benzoylsulfimide; Saccharin nitranion; 2-Sulfobenzoicimide; O-Sulfobenzoic imide; Sweeta (TN); o-sulphobenzoic imide; 2-Sulfobenzoic imide; Spectrum_000213; Saccharin, >=98%; Saccharin, >=99%; Saccharin (JP15/NF); Saccharin (JP17/NF); Spectrum2_001432; Spectrum3_001475; Spectrum4_000449; Spectrum5_001181; WLN: T56 BSWMVJ; EC 201-321-0; SCHEMBL3816; Saccharin, puriss., 98%; NCIOpen2_005140; NCIOpen2_005180; 2-Sulfobenzoic acid imide; ; ; BSPBio_003029; KBioGR_000838; KBioSS_000693; ARONIS27195; DivK1c_000164; SPECTRUM1501171; SPBio_001564; GTPL5432; DTXSID5021251; INS NO.954(I); BDBM29278; HMS500I06; KBio1_000164; KBio2_000693; KBio2_003261; KBio2_005829; KBio3_002529; NSC5349; 2q38; NINDS_000164; 1,1-Dioxo-1,2-dihydro-1lambda*6*-benzo[d]isothiazol-3-one; HMS1921N03; HMS2092J09; INS-954(I); Pharmakon1600-01501171; BCP29068; HY-Y0272; STR03759; ZINC2560357; 3-Benzisothiazolinone 1, 1-dioxide; o-Benzoic sulfimide;o-Sulfobenzimide; Tox21_111358; Tox21_201880; Tox21_302950; BBL015343; CCG-39011; NSC757878; s4819; SBB027246; STK803263; 2, 3-Dihydro-3-oxobenzisosulfonazole; 2,3-Dihydro-3-oxo-Benzisosulfonazole; AKOS000120481; AKOS017272711; Saccharin (only persons who manufacture are subject, no supplier notification); Tox21_111358_1; 1, 2-Dihydro-2-ketobenzisosulfonazole; DB12418; MCULE-3632531025; NSC-757878; IDI1_000164; 1.2-benzoisothiazole-3-on-1.1-dioxide; Benzisosulfonazole, 2,3-dihydro-3-oxo-; NCGC00094918-01; NCGC00094918-02; NCGC00094918-04; NCGC00094918-05; NCGC00094918-06; NCGC00094918-07; NCGC00094918-09; NCGC00256329-01; NCGC00259429-01; AK129019; E-954(I); ST073992; 1,2-benzisothiazoline-3-one-1,1-dioxide; 1.2 -benzoisothiazole-3-on 1.1-dioxide; SBI-0051671.P002; 1, 2-Benzisothiazolin-3-one 1,1-dioxide; 1,2-benzisothiazol-3(2H)-one-1,1-dioxide; B0004; CS-0013120; FT-0674493; FT-0674494; H2947; Z1771; C12283; D01085; 1, 2-Benzisothiazol-3(2H)-one, 1,1-dioxide; 10362-EP2272822A1; 10362-EP2277848A1; 10362-EP2277865A1; 10362-EP2277879A1; 10362-EP2284157A1; 10362-EP2287167A1; 10362-EP2289883A1; 10362-EP2289892A1; 10362-EP2295426A1; 10362-EP2295427A1; 10362-EP2295429A1; 10362-EP2298735A1; 10362-EP2298764A1; 10362-EP2298765A1; 10362-EP2301536A1; 10362-EP2301538A1; 10362-EP2305248A1; 10362-EP2305254A1; 10362-EP2305257A1; 10362-EP2305648A1; 10362-EP2305663A1; 10362-EP2305668A1; 10362-EP2305688A1; 10362-EP2308867A2; 10362-EP2308870A2; 10362-EP2311455A1; 10362-EP2311821A1; 10362-EP2311824A1; 10362-EP2311829A1; 10362-EP2311842A2; 10362-EP2314584A1; 10362-EP2314588A1; 10362-EP2314590A1; 10362-EP2316452A1; 10362-EP2374792A1; 3-keto-2H,3H-1,2-benzisothiazole 1,1-dioxide; 88543-EP2275422A1; 88543-EP2277868A1; 88543-EP2277869A1; 88543-EP2277870A1; 88543-EP2298076A1; 88543-EP2298077A1; 88543-EP2301353A1; 88543-EP2305031A1; 88543-EP2305034A1; 88543-EP2305035A1; 88543-EP2374791A1; AB00052233-04; AB00052233_05; 144417-EP2289518A1; 144417-EP2292231A1; 2,3-dihydro-1??,2-benzothiazole-1,1,3-trione; Q191381; 1,1-Dioxido-3-oxo-2,3-dihydrobenzo[d]isothiazole; 1,2-Benzisothiazol-3(2H)-one 1,1-dioxide, 9CI; 2,3-dihydro-1,2-benzisothiazol-3-one-1,1-dioxide; 2,3-dihydro-3-oxo-1,2-benzisothiazol-1,1-dioxide; SR-01000389315-2; W-200289; 03AC8EC2-D02A-464C-A7C3-7CABD643CC1E; 2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione; BRD-K46493214-001-03-4; 1, 2-Benzisothiazolin-3-one, 1,1-dioxide, sodium salt; 1, 2-Benzothiazol-3(2H)-one 1,1-dioxide sodium salt; F0001-2092; Z256708526; 1, 2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt; 1,1-dioxo-1,2-dihydro-1lambda6-benzo[d]isothiazol-3-one; Saccharin, European Pharmacopoeia (EP) Reference Standard; Mettler-Toledo Calibration substance ME 51143091, Saccharin; Saccharin, United States Pharmacopeia (USP) Reference Standard; Saccharin, Pharmaceutical Secondary Standard; Certified Reference Material; Mettler-Toledo Calibration substance ME 51143091, Saccharin, traceable to primary standards (LGC)
DIG Function
Flavoring agent
PubChem CID
5143
Formula
C7H5NO3S
Canonical SMILES
C1=CC=C2C(=C1)C(=O)NS2(=O)=O
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
   Click to Show/Hide the Molecular Data (Structure/Property) of This DIG
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=5143"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 183.19 Topological Polar Surface Area 71.6
XlogP 0.9 Complexity 303
Heavy Atom Count 12 Rotatable Bond Count 0
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
       ICD Disease Classification 06 Mental/behavioural/neurodevelopmental disorder Click to Show/Hide
Bupropion
 API Info
Nicotine dependence [ICD-11: 6C4A]
 [1]
       ICD Disease Classification 11 Circulatory system disease Click to Show/Hide
Aspirin
 API Info
Myocardial infarction [ICD-11: BA41]
 [2]
       ICD Disease Classification 13 Digestive system disease Click to Show/Hide
Sodium fluoride
 API Info
Periodontal disease [ICD-11: DA0C]
 [3]
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Hydrolase (HDase)
            DBT Name: Cholinesterase (BCHE) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 3600 nM (tested by experiment) [4]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CHLE_HUMAN
      Lyase/isomerase/ligase (L/I/G)
            DBT Name: Carbonic anhydrase VA (CA5A) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity Ki = 10060 nM (tested by experiment) [5]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CAH5A_HUMAN
            DBT Name: Carbonic anhydrase VB (CA5B) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity Ki = 7210 nM (tested by experiment) [5]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CAH5B_HUMAN
            DBT Name: Carbonic anhydrase I (CA1) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity Ki > 10000 nM (tested by experiment) [6]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CAH1_HUMAN
            DBT Name: Carbonic anhydrase II (CA2) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity Ki = 5180 nM (tested by experiment) [7]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CAH2_HUMAN
            DBT Name: Carbonic anhydrase IV (CA4) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity Ki = 7920 nM (tested by experiment) [5]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CAH4_HUMAN
            DBT Name: Carbonic anhydrase IX (CA9) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity Ki = 100 nM (tested by experiment) [8]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CAH9_HUMAN
            DBT Name: Carbonic anhydrase VI (CA6) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity Ki = 935 nM (tested by experiment) [9]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CAH6_HUMAN
            DBT Name: Carbonic anhydrase VII (CA7) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity Ki = 10 nM (tested by experiment) [6]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CAH7_HUMAN
            DBT Name: Carbonic anhydrase XII (CA12) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity Ki = 633 nM (tested by experiment) [10]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CAH12_HUMAN
            DBT Name: Carbonic anhydrase XIV (CA14) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity Ki = 773 nM (tested by experiment) [5]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CAH14_HUMAN
References
1 FDA label for approved bupropion from the official website of the U.S. Food and Drug Administration.
2 FDA label for approved aspirin from the official website of the U.S. Food and Drug Administration.
3 FDA label for approved sodium fluoride from the official website of the U.S. Food and Drug Administration.
4 Sulfonamides as multifunctional agents for Alzheimer's disease. Bioorg Med Chem Lett. 2015 Feb 1; 25(3):626-30.
5 Cyclic secondary sulfonamides: unusually good inhibitors of cancer-related carbonic anhydrase enzymes. J Med Chem. 2014 Apr 24; 57(8):3522-31.
6 A Sweet Combination: Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII. J Med Chem. 2020 Jan 9; 63(1):321-333.
7 Mutation of active site residues Asn67 to Ile, Gln92 to Val and Leu204 to Ser in human carbonic anhydrase II: influences on the catalytic activity and affinity for inhibitors. Bioorg Med Chem. 2012 Apr 1; 20(7):2208-13.
8 Seriously Sweet: Acesulfame K Exhibits Selective Inhibition Using Alternative Binding Modes in Carbonic Anhydrase Isoforms. J Med Chem. 2018 Feb 8; 61(3):1176-1181.
9 Carbonic anhydrase inhibitors. Inhibition studies with anions and sulfonamides of a new cytosolic enzyme from the scleractinian coral Stylophora pistillata. Bioorg Med Chem Lett. 2011 Jan 15; 21(2):710-4.
10 Carbonic anhydrase inhibitors: copper(II) complexes of polyamino-polycarboxylamido aromatic/heterocyclic sulfonamides are very potent inhibitors of the tumor-associated isoforms IX and XII. Bioorg Med Chem Lett. 2008 Jan 15; 18(2):836-41.

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