Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E02ZUV)
DIG Name
Hyaluronate sodium
Synonyms    Click to Show/Hide the Synonyms of This DIG
Healon; Hyaluronate Sodium; Hyaluronan; Kopuron; Hyalgan; Hyalurone sodium; Equron (Veterinary); Synacid (veterinary); Arthrease; Cystistat; Hyalart; Hyalein; Hyalovet; Hyladerm; Khionat; Monovisc; Nidelon; Orthovisc; Ostenil; Provisc; Sinovial; Supartz; Suvenyl; Hyasol; Hyladerm Khionat; Nrd101; Hyaluronsan HA-LQ; sodium;(2S,3S,4S,5R,6R)-6-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid; Bio Hyaluro 12; EUFLEXXA injection; EUFLEXXA; CCRIS 4127; Hyaluronate Sodium [USAN:JAN]; Sodium hyaluronate HMW; UNII-YSE9PPT4TH; SI-4402; SL-1010; Synacid; Equron; Chlamyhyaluronic acid sodium salt; SL 1010; Hyalauronic Acid 99%; YSE9PPT4TH; GTPL4954; Sodium Hyaluronate (Food Grade); EBD4181; Sodium Hyaluronate (Cosmetic Grade); AKOS015896610; Sodium Hyaluronate, Low Molecular Weight; Sodium Hyaluronate, High Molecular Weight; Q27078001; Hyaluronic acid sodium salt; Chlamyhyaluronic acid sodium salt; (3S,4R,5R,6R)-3-[(2S,3R,5S,6R)-3-acetamido-4-[(2S,3R,4S,6S)-6-carboxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6-[(3R,4R,5S,6R)-3-acetamido-2,5-dih; sodium (2S,3S,4R,5R,6R)-3-{[(2S,3R,4R,5S,6R)-4-{[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-{[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-4,5-dihydroxyoxane-2-carboxylic acid
DIG Function
Humectant; Lubricant; Modified-release agent
PubChem CID
3084049
Formula
C28H44N2NaO23+
Canonical SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)NC(=O)C)O)O.[Na+]
InChI
1S/C28H44N2O23.Na/c1-5(33)29-9-18(11(35)7(3-31)47-25(9)46)49-28-17(41)15(39)20(22(53-28)24(44)45)51-26-10(30-6(2)34)19(12(36)8(4-32)48-26)50-27-16(40)13(37)14(38)21(52-27)23(42)43;/h7-22,25-28,31-32,35-41,46H,3-4H2,1-2H3,(H,29,33)(H,30,34)(H,42,43)(H,44,45);/q;+1/t7-,8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18-,19-,20+,21+,22+,25-,26+,27-,28-;/m1./s1
InChIKey
YWIVKILSMZOHHF-QJZPQSOGSA-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=3084049"></iframe>
3D MOL is not available 2D MOL
Physicochemical Properties Molecular Weight 799.6 Topological Polar Surface Area 400
XlogP N.A. Complexity 1300
Heavy Atom Count 54 Rotatable Bond Count 12
Hydrogen Bond Donor Count 14 Hydrogen Bond Acceptor Count 23
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Cell line (CELL)
            DBT Name: Fungoides HuT78 cells (HuT78) 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 EC50 = 41 ug.mL-1 (estimated based on the structural similarity with CHEMBL214326 ) [1]
                    Structural Similarity Tanimoto coefficient = 0.92173913
                    Tested Species Homo sapiens (Human)
                    Cellosaurus ID CVCL_0337
            DBT Name: Leukemia MT4 cells (MT4) 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 EC50 = 5.4 ug.mL-1 (estimated based on the structural similarity with CHEMBL214326 ) [1]
                    Structural Similarity Tanimoto coefficient = 0.92173913
                    Tested Species Homo sapiens (Human)
                    Cellosaurus ID CVCL_2632
References
1 Preparation and anti-HIV activity of O-acylated heparin and dermatan sulfate derivatives with low anticoagulant effect. J Med Chem. 1993 Nov 12; 36(23):3546-55.

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