Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0BG7D)
DIG Name
Saccharin sodium dihydrate
Synonyms    Click to Show/Hide the Synonyms of This DIG
Saccharin sodium dihydrate; 6155-57-3; Saccharin sodium salt; Sodium saccharin; Saccharin soluble; 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt, dihydrate; Saccharin sodium salt hydrate; SACCHARIN SODIUM SALT DIHYDRATE; o-Sulfobenzimide sodium salt; 128-44-9; 82385-42-0; C7H4NNaO3S.2H2O; AKOS015902854; AKOS025311020; O434; DB-053932; FT-0636003
DIG Function
Flavoring agent
PubChem CID
46942257
Formula
C7H9NNaO5S
Canonical SMILES
C1=CC=C2C(=C1)C(=O)NS2(=O)=O.O.O.[Na]
InChI
1S/C7H5NO3S.Na.2H2O/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;;;/h1-4H,(H,8,9);;2*1H2
InChIKey
UQKRDMFNUSMUCB-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=46942257"></iframe>
3D MOL is not available 2D MOL
Physicochemical Properties Molecular Weight 242.21 Topological Polar Surface Area 73.6
XlogP N.A. Complexity 303
Heavy Atom Count 15 Rotatable Bond Count 0
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 5
Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
       ICD Disease Classification 01 Infectious/parasitic disease Click to Show/Hide
Mebendazole
 API Info
Ascariasis [ICD-11: 1F62]
 [1]
       ICD Disease Classification 06 Mental/behavioural/neurodevelopmental disorder Click to Show/Hide
Lamotrigine
 API Info
Bipolar disorder [ICD-11: 6A60]
 [2]
       ICD Disease Classification 08 Nervous system disease Click to Show/Hide
Ergotamine
 API Info
Migraine [ICD-11: 8A80]
 [3]
       ICD Disease Classification 11 Circulatory system disease Click to Show/Hide
Aspirin
 API Info
Myocardial infarction [ICD-11: BA41]
 [4]
       ICD Disease Classification 13 Digestive system disease Click to Show/Hide
Bismuth subsalicylate
 API Info
Irritable bowel syndrome [ICD-11: DD91]
 [5]
       ICD Disease Classification 16 Genitourinary system disease Click to Show/Hide
Methenamine
 API Info
Urinary tract infection [ICD-11: GC08]
 [6]
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Lyase/isomerase/ligase (L/I/G)
            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 (estimated based on the structural similarity with CHEMBL310671 ) [7]
                    Structural Similarity Tanimoto coefficient = 0.962264151
                    Tested Species Homo sapiens (Human)
                    UniProt ID CAH12_HUMAN
References
1 FDA label for approved mebendazole from the official website of the U.S. Food and Drug Administration.
2 FDA label for approved lamotrigine from the official website of the U.S. Food and Drug Administration.
3 FDA label for approved ergotamine from the official website of the U.S. Food and Drug Administration.
4 FDA label for approved aspirin from the official website of the U.S. Food and Drug Administration.
5 Bismuth Subsalicylate.
6 FDA label for approved methenamine from the official website of the U.S. Food and Drug Administration.
7 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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