General Information of DIG (ID: E02WXM)
DIG Name
Sodium 1,2-ethanedisulfonate
Synonyms    Click to Show/Hide the Synonyms of This DIG
5325-43-9; Sodium ethane-1,2-disulfonate; 1,2-Ethanedisulfonic acid disodium salt; Sodium 1,2-ethanedisulfonate; Disodium 1,2-ethanedisulfonate; 1,2-Ethanedisulfonic acid, disodium salt; UNII-2YZU14UIFP; 2YZU14UIFP; MFCD00024998; 1,2-Ethanedisulfonic acid, sodium salt (1:2); NSC164; Disodium 1,2-ethanedisulphonate; disodium ethane-1,2-disulfonate; sodium ethionate; NSC 164; EINECS 226-198-0; 1,2-ETHANEDISULFONICACIDDISODIUMSALT; C2H4O6S2.2Na; SCHEMBL214687; ACMC-209l57; disodium;ethane-1,2-disulfonate; DTXSID1063774; disodium 1,2-ethanedisulfonic acid; BCP22443; 6855AF; ANW-31673; AKOS024462583; 1,2-ethanedisulphonic acid disodium salt; AS-59823; SY039773; 1,2-Ethane disulfonic acid, disodium salt; DB-052278; E0031; FT-0606457; W-105759; Q27255813
DIG Function
Other agent
PubChem CID
79220
Formula
C2H4Na2O6S2
Canonical SMILES
C(CS(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
InChI
1S/C2H6O6S2.2Na/c3-9(4,5)1-2-10(6,7)8;;/h1-2H2,(H,3,4,5)(H,6,7,8);;/q;2*+1/p-2
InChIKey
BJTHMUJCKBTCFR-UHFFFAOYSA-L
   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=79220"></iframe>
3D MOL is not available 2D MOL
Physicochemical Properties Molecular Weight 234.16 Topological Polar Surface Area 131
XlogP N.A. Complexity 212
Heavy Atom Count 12 Rotatable Bond Count 1
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 6
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Potential-driven transporter (PDT)
            DBT Name: Solute carrier SLCO2B1 (OATPB) 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 Promotion ratio = 36 % (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID SO2B1_HUMAN
References
1 Bacterial metabolism rescues the inhibition of intestinal drug absorption by food and drug additives. Proc Natl Acad Sci U S A. 2020 Jul 7;117(27):16009-16018.

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