Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0T2PX)
DIG Name
Lauryl sulfate
Synonyms    Click to Show/Hide the Synonyms of This DIG
Lauryl sulfate; Dodecyl hydrogen sulfate; DODECYL SULFATE; Lauryl sulphate; Sulfuric acid, monododecyl ester; N-Dodecyl sulfate; Lauryl sulfuric acid; 151-41-7; Dodecylsulfuric acid; Monododecyl hydrogen sulfate; hydrogen lauryl sulfate; UNII-DIQ16UC154; DIQ16UC154; CHEBI:45599; Dodecansulfonic acid, hydroxy-; HSDB 936; NSC633414; Dodecyl hydrogen sulphate; EINECS 205-791-8; BRN 1710530; dodecylsulfat; dodecyl-sulfate; SDS (*Sodium salt*); SLS (*Sodium salt*); SCHEMBL3353; Sodium lauryl sulfate (SDS); 3-01-00-02186 (Beilstein Handbook Reference); BIDD:ER0376; CHEMBL1204779; DTXSID0042088; ZINC1532179; Lauryl sulfate Broth, for microbiology; DB03967; Sodium lauryl sulfate (*Sodium salt*); Sodium dodecyl sulfate (*Sodium salt*); Q27094826
DIG Function
Emulsifying agent; Modified-release agent; Penetration agent; Solubilizing agent; Surfactant; lubricant
PubChem CID
8778
Formula
C12H26O4S
Canonical SMILES
CCCCCCCCCCCCOS(=O)(=O)O
InChI
1S/C12H26O4S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H,13,14,15)
InChIKey
MOTZDAYCYVMXPC-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=8778"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 266.4 Topological Polar Surface Area 72
XlogP 4.7 Complexity 244
Heavy Atom Count 17 Rotatable Bond Count 12
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4
Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
       ICD Disease Classification 08 Nervous system disease Click to Show/Hide
Acetaminophen
 API Info
Anaesthesia [ICD-11: 8E22]
 [1]
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Cell line (CELL)
            DBT Name: Fibrosarcoma WEHI-164 cells (WEHI-164) 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 = 15 ug.mL-1 (estimated based on the structural similarity with CHEMBL1162328 ) [2]
                    Structural Similarity Tanimoto coefficient = 0.837837838
                    Tested Species Mus musculus (Mouse)
                    Cellosaurus ID CVCL_2251
References
1 FDA label for approved acetaminophen from the official website of the U.S. Food and Drug Administration.
2 Novel bioactive sulfated alkene and alkanes from the mediterranean ascidian Halocynthia papillosa. J Nat Prod. 2000 Nov; 63(11):1590-2.

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