Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0FW3H)
DIG Name
Dihydroxyaluminum aminoacetate
Synonyms    Click to Show/Hide the Synonyms of This DIG
Dihydroxyaluminum aminoacetate; Dihydroxyaluminium glycinate; 41354-48-7; Hyperacid; Prodexin; Robalate; Alilac; (2-Aminoacetoxy)dihydroxyaluminum; (Glycinato)dihydroxyaluminum; Alminate; (T-4)-(Glycinato-N,O)dihydroxyaluminum; Dihydroxyaluminum aminoacetate [USAN:USP]; C2H6AlNO4; Dihydroxoaluminium glycinat; Aluminum glycinate, AldrichCPR; DTXSID3044546; (Glycinato-N,O)dihydroxyaluminum; (Glycinato)dihydroxyaluminum hydrate; EINECS 237-193-8; Aluminum, (glycinato-N,O)dihydroxy-; MFCD00053645; AKOS024258178; Dihydroxyaluminum Aminoacetate Anhydrous; Aluminum, (glycinato-N,O)dihydroxy-, (T-4)-, mixt. with magnesium carbonate (1:1); 51484-68-5; I620; Aluminum, (glycinato-N,O)dihydroxy-, hydrate; Dihydroxyaluminum aminoacetate anhydrous [USAN]; Aluminum, (glycinato-.kappa.N,.kappa.O)dihydroxy-, (T-4)-
DIG Function
Buffering agent
PubChem CID
16683036
Formula
C2H8AlNO4
Canonical SMILES
C(C(=O)O[Al])N.O.O
InChI
1S/C2H5NO2.Al.2H2O/c3-1-2(4)5;;;/h1,3H2,(H,4,5);;2*1H2/q;+1;;/p-1
InChIKey
RBNPZEHAODHBPZ-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=16683036"></iframe>
3D MOL is not available 2D MOL
Physicochemical Properties Molecular Weight 137.07 Topological Polar Surface Area 54.3
XlogP N.A. Complexity 58
Heavy Atom Count 8 Rotatable Bond Count 3
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 15 Musculoskeletal/connective-tissue disease Click to Show/Hide
Diclofenac
 API Info
Knee osteoarthritis [ICD-11: FA01]
 [1]
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Transmembrane channel/porin (TC/P)
            DBT Name: Glutamate receptor NMDA 1 (GRIN1) 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 = 250 nM (estimated based on the structural similarity with CHEMBL773 ) [2]
                    Structural Similarity Tanimoto coefficient = 0.838709677
                    Tested Species Rattus norvegicus (Rat)
                    UniProt ID NMDZ1_RAT
References
1 FDA label for approved diclofenac from the official website of the U.S. Food and Drug Administration.
2 Design, synthesis and structure-activity relationships of novel strychnine-insensitive glycine receptor ligands. Bioorg Med Chem Lett. 1999 May 17; 9(10):1409-14.

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