Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E04NIZ)
DIG Name
Saccharin sodium anhydrous
Synonyms    Click to Show/Hide the Synonyms of This DIG
SACCHARIN SODIUM; 128-44-9; Sodium saccharin; Sodium saccharine; Sodium 3-oxo-3H-benzo[d]isothiazol-2-ide 1,1-dioxide; Saccharin, sodium; Sodium saccharinate; Saccharin sodium anhydrous; Cristallose; Crystallose; Kristallose; Willosetten; Madhurin; Sucromat; Saccharin soluble; Sodium saccharide; Soluble saccharin; Saccharine soluble; Saccharin sodium salt; Saccharin, sodium salt; Sodium o-benzosulfimide; UNII-I4807BK602; o-Benzoic Sulfimide Sodium Salt; CHEBI:32112; o-Sulfonbenzoic acid imide sodium salt; Artificial sweetening substanz gendorf 450; 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt; I4807BK602; Dagutan; Sodium 1,2 benzisothiazolin-3-one 1,1-dioxide; Saccharinnatrium; Soluble gluside; Sucra; sodium;1,1-dioxo-1,2-benzothiazol-2-id-3-one; Saccharoidum natricum; Sodium benzosulphimide; sodium 3-oxo-3H-1,2-benzisothiazol-2-ide 1,1-dioxide; Saccharine sodium salt; o-Sulfobenzimide sodium salt; Sodium o-benzosulphimide; 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt (1:1); Sodium 2-benzosulphimide; 6155-57-3; 1,2-Benzothiazol-3(2H)-one 1,1-dioxide sodium salt; Saccharin sodium, anhydrous; Sodium saccharin, anhydrous; 1,2-Benzisothiazol-3(2H)-one 1,1-dioxide, Saccharin, sodium salt; Saccharinnatrium; Soluble gluside; Sweeta; Willosetten;; CCRIS 706; Benzoic acid sulfimide, sodium; FEMA No. 2997; Sulphobenzoic imide, sodium salt; o-Sulfobenzimide sodium salt dihydrate; NSC 4867; EINECS 204-886-1; Saccharin, sodium salt (C7H5NO3S.xNa); 1,2-Benzisothiazol-3(2H)-one 1,1-dioxide, sodium salt; Sodium 1,2 benzisothiazolin-3-one-1,1-dioxide; Sodium 1,2-benzisothiazolin-3-one 1,1-dioxide; Sodium 1,2-benzisothiazol-3(2H)-one, 1,1-dioxide; 1,2-Benzisothiazolin-3-one, 1,1-dioxide, sodium salt; Saccharin - sodium salt; 16766-82-8; Hermesetas original (TN); DSSTox_CID_1253; EC 204-886-1; SCHEMBL3372; DSSTox_RID_76040; DSSTox_GSID_21253; CHEMBL2219743; DTXSID5021253; 1,1-Dioxide-1,2-benzisothiazol-3(2H)-one, sodium salt; 1,2-Benzisothiazolin-3-one, 1,1-dioxide, sodium deriv.; Tox21_200515; MFCD00982148; AKOS000121310; AKOS004110724; NCGC00258069-01; AC-11597; AS-69031; CAS-128-44-9; DB-041898; B0131; FT-0631749; C12284; D08500; Q27094367; Saccharin sodium 1000 microg/mL in Acetonitrile:Water; 3-Oxo-3H-1,2-benzothiazol-2-ide 1,1-dioxide (Na+, H2O); sodium 1,1,3-trioxo-2,3-dihydro-1??,2-benzothiazol-2-ide
DIG Function
Flavoring agent
PubChem CID
656582
Formula
C7H4NNaO3S
Canonical SMILES
C1=CC=C2C(=C1)C(=O)[N-]S2(=O)=O.[Na+]
InChI
1S/C7H5NO3S.Na/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;/h1-4H,(H,8,9);/q;+1/p-1
InChIKey
WINXNKPZLFISPD-UHFFFAOYSA-M
   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=656582"></iframe>
3D MOL is not available 2D MOL
Physicochemical Properties Molecular Weight 205.17 Topological Polar Surface Area 60.6
XlogP N.A. Complexity 308
Heavy Atom Count 13 Rotatable Bond Count 0
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4
Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
       ICD Disease Classification 01 Infectious/parasitic disease Click to Show/Hide
Raltegravir
 API Info
Human immunodeficiency virus infection [ICD-11: 1C60]
 [1]
       ICD Disease Classification 07 Sleep-wake disorder Click to Show/Hide
Zolpidem
 API Info
Insomnia [ICD-11: 7A00]
 [2]
       ICD Disease Classification 08 Nervous system disease Click to Show/Hide
Pimavanserin
 API Info
Parkinsonism [ICD-11: 8A00]
 [3]
       ICD Disease Classification 09 Visual system disease Click to Show/Hide
Dextromethorphan
 API Info
Allergic conjunctivitis [ICD-11: 9A60]
 [4]
       ICD Disease Classification 11 Circulatory system disease Click to Show/Hide
Aspirin
 API Info
Myocardial infarction [ICD-11: BA41]
 [5]
Nifedipine
 API Info
Angina pectoris [ICD-11: BA40]
 [6]
       ICD Disease Classification 13 Digestive system disease Click to Show/Hide
Ranitidine
 API Info
Gastric ulcer [ICD-11: DA60]
 [7]
Sodium fluoride
 API Info
Periodontal disease [ICD-11: DA0C]
 [8]
       ICD Disease Classification 15 Musculoskeletal/connective-tissue disease Click to Show/Hide
Prednisone
 API Info
Rheumatoid arthritis [ICD-11: FA20]
 [9]
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Lyase/isomerase/ligase (L/I/G)
            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 = 18540 nM (estimated based on the structural similarity with CHEMBL310671 ) [10]
                    Structural Similarity Tanimoto coefficient = 0.970873786
                    Tested Species Homo sapiens (Human)
                    UniProt ID CAH1_HUMAN
References
1 2007 FDA drug approvals: a year of flux. Nat Rev Drug Discov. 2008 Feb;7(2):107-9.
2 FDA label for approved zolpidem from the official website of the U.S. Food and Drug Administration.
3 FDA label for approved pimavanserin from the official website of the U.S. Food and Drug Administration.
4 FDA label for approved dextromethorphan from the official website of the U.S. Food and Drug Administration.
5 FDA label for approved aspirin from the official website of the U.S. Food and Drug Administration.
6 FDA label for approved nifedipine from the official website of the U.S. Food and Drug Administration.
7 FDA label for approved ranitidine from the official website of the U.S. Food and Drug Administration.
8 FDA label for approved sodium fluoride from the official website of the U.S. Food and Drug Administration.
9 FDA label for approved prednisone from the official website of the U.S. Food and Drug Administration.
10 Carbonic anhydrase inhibitors. Inhibition studies of a coral secretory isoform by sulfonamides. Bioorg Med Chem. 2009 Jul 15; 17(14):5054-8.

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