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
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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