Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0HY7L)
DIG Name
Triethanolamine lauryl sulfate
Synonyms    Click to Show/Hide the Synonyms of This DIG
TRIETHANOLAMINE LAURYL SULFATE; 139-96-8; TEA-Lauryl sulfate; Dodecyl sulfate triethanolamine salt; UNII-E8458C1KAA; triethanolamine laurylsulfate; E8458C1KAA; Drene; Texapon TH; Sterling wat; Sulfetal lt; Standapol T; Propaste T; Richonol T; Akyposal TLS; Cycloryl WAT; Maprofix TLS; Stepanol WAT; Cycloryl TAWF; Sipon LT; Sulfuric acid, monododecyl ester, compd. with 2,2',2''-nitrilotris(ethanol) (1:1); Tea lauryl sulfate; Melanol LP20T; Maprofix TLS 65; Standapol TLS 40; Steinapol TLS 40; Rewopol TLS 40; Texapon T-35; Texapon T-42; Tylorol LT 50; Sipon LT-6; Emersal 6434; Maprofix TLS 500; Sipon LT-40; 2-[bis(2-hydroxyethyl)amino]ethanol;dodecyl hydrogen sulfate; EMAL T; Elfan 4240 T; Sulfuric acid, monododecyl ester, compd. with 2,2',2''-nitrilotris[ethanol] (1:1); Triethanolamine dodecyl sulfate; HSDB 2899; Triethanolamine monododecyl sulfate; Lauryl sulfate triethanolamine salt; EINECS 205-388-7; Laurylsulfuric acid triethanolamine salt; Dodecyl sulfate triethanolamine; Sulfuric acid, dodecyl ester, triethanolamine salt; Tris(2-hydroxyethyl)ammonium lauryl sulphate; DSSTox_CID_7076; Sulfuric acid, monododecyl ester, compd with 2,2',2''-nitrilotriethanol (1:1); Sulfuric acid, monododecyl ester, compd. with 2,2',2''-nitrilotris(ethanol); DSSTox_RID_78301; Sulfuric acid, monododecyl ester, compd with 2,2',2''-nitrilotris(ethanol) (1:1); Sulfuric acid, monododecyl ester, compd. with 2,2',2''-nitrilotriethanol (1:1); DSSTox_GSID_27076; SCHEMBL97773; CHEMBL3187366; DTXSID4027076; DECAHYDRO-2-NAPHTHOLACETATE; C12H26SO4.C6H15NO3; Tox21_303076; 6049AF; NCGC00256950-01; CAS-139-96-8; Triethanolamine Lauryl Sulfate, 38-40%; Triethanolamine lauryl sulfate, AldrichCPR; 2,2',2''-nitrilotriethanol dodecyl sulfate; FT-0700868; Q27276995; 2-[bis(2-hydroxyethyl)amino]ethanol,dodecyl hydrogen sulfate; dodecyl hydrogen sulfate - 2,2',2''-nitrilotriethanol (1:1)
DIG Function
Complexing agent; Emulsifying agent; Surfactant
PubChem CID
8777
Formula
C18H41NO7S
Canonical SMILES
CCCCCCCCCCCCOS(=O)(=O)O.C(CO)N(CCO)CCO
InChI
1S/C12H26O4S.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;8-4-1-7(2-5-9)3-6-10/h2-12H2,1H3,(H,13,14,15);8-10H,1-6H2
InChIKey
JZKFHQMONDVVNF-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=8777"></iframe>
3D MOL is not available 2D MOL
Physicochemical Properties Molecular Weight 415.6 Topological Polar Surface Area 136
XlogP N.A. Complexity 300
Heavy Atom Count 27 Rotatable Bond Count 18
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 8
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Cell line (CELL)
            DBT Name: Ovarian cancer A2780 cells (A2780) 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 = 10060 nM (estimated based on the structural similarity with CHEMBL3408657 ) [1]
                    Structural Similarity Tanimoto coefficient = 0.754716981
                    Tested Species Homo sapiens (Human)
                    Cellosaurus ID CVCL_0134
            DBT Name: Cervical cancer HeLa cells (HeLa) 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 = 20300 nM (estimated based on the structural similarity with CHEMBL572050 ) [2]
                    Structural Similarity Tanimoto coefficient = 0.754716981
                    Tested Species Homo sapiens (Human)
                    Cellosaurus ID CVCL_0030
            DBT Name: Breast cancer MCF7 cells (MCF7) 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 = 43340 nM (estimated based on the structural similarity with CHEMBL3408657 ) [1]
                    Structural Similarity Tanimoto coefficient = 0.754716981
                    Tested Species Homo sapiens (Human)
                    Cellosaurus ID CVCL_0031
References
1 Synthesis of structural analogues of hexadecylphosphocholine and their antineoplastic, antimicrobial and amoebicidal activity. Eur J Med Chem. 2015 Mar 26; 93:263-73.
2 Synthesis and biological activity of dialkylphosphocholines. Bioorg Med Chem Lett. 2009 Nov 15; 19(22):6346-9.

If you find any error in data or bug in web service, please kindly report it to Dr. Zhang and Dr. Mou.