Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0FH4N)
DIG Name
Docusate sodium
Synonyms    Click to Show/Hide the Synonyms of This DIG
Docusate sodium; 577-11-7; Dioctyl sodium sulfosuccinate; Dioctyl sulfosuccinate sodium salt; Aerosol OT; Constonate; Dioctyl sulfosuccinate sodium; Docusate (Sodium); Diox; Manoxol OT; Bis(2-ethylhexyl) sulfosuccinate sodium salt; Docusate sodium salt; Colace; Sodium bis(2-ethylhexyl) sulfosuccinate; UNII-F05Q2T2JA0; Bis(2-ethylhexyl) sodium sulfosuccinate; Dioctyl ester of sodium sulfosuccinic acid; MFCD00012455; sodium 1,4-bis[(2-ethylhexyl)oxy]-1,4-dioxobutane-2-sulfonate; Dioctyl; 577-11-7 (sodium); F05Q2T2JA0; sodium;1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate; sodium docusate; Diomedicone; Clestol; Complemix; Defilin; Dialose; Dioctlyn; Dioctylal; Diosuccin; Disonate; Doxinate; Dulsivac; Laxinate; Mervamine; Molatoc; Molofac; Regutol; Requtol; Sobital; Soliwax; Coprol; Diovac; Konlax; Kosate; Molcer; Obston; Softil; Velmol; Waxsol; Butanedioic acid, sulfo-, 1,4-bis(2-ethylhexyl) ester, sodium salt; Nevax; Revac; Modane Soft; DSSTox_CID_2959; Alcopol O; Alphasol OT; Manoxal OT; Sulfimel DOS; Aerosol AOT; Aerosol GPG; Wetaid SR; DSSTox_RID_76808; Aerosol OT-A; DSSTox_GSID_22959; AOT; Laxinate 100; Sanmorin OT 70; Triton GR 7; Triton GR-5; Sulfosuccinic acid bis(2-ethylhexyl) ester sodium salt; Aerosol OT 70PG; Aerosol OT 75; Celanol DOS 65; Celanol DOS 75; DESS; Humifen WT 27G; Monawet MD 70E; Solusol-75%; Nikkol OTP 70; Aerosol A 501; Alkasurf SS-O 75; Solusol-100%; Nekal WT-27; Adekacol EC 8600; Berol 478; Coloxyl; Docolace; Docuprene; Geriplex; Silace; Unilax; Bloat treatment; Docusato sodico; Sodium 1,4-bis((2-ethylhexyl)oxy)-1,4-dioxobutane-2-sulfonate; Docusate sodique; Dialose Plus; Natrii dioctylsulfosuccinas; Tex-Wet 1001; Senokot S; Butanedioic acid, 2-sulfo-, 1,4-bis(2-ethylhexyl) ester, sodium salt (1:1); Correctol Caplets; Correctol Tablets; Senokap DSS; Docusatum natricum; D-S-S; Doc Q Lace; CAS-577-11-7; Dioctyl sulfosuccinate, sodium salt, 96%; Sodium dioctyl sulphosuccinate; Feen-a-Mint Pills; Correctol Extra Gentle Tablets; Docusate sodique [INN-French]; Docusato sodico [INN-Spanish]; Docusatum natricum [INN-Latin]; HSDB 3065; 2-Ethylhexyl sulfosuccinate sodium; NCGC00164140-03; EINECS 209-406-4; SV 102; Bis(2-ethylhexyl)sodium sulfosuccinate; Dioctyl ester of sodium sulfosuccinate; Di-(2-ethylhexyl) sodium sulfosuccinate; Sodium di-(2-ethylhexyl) sulfosuccinate; Dioctyl sodium sulphosuccinat; Prenexa; Purgasol; Vinacol; Bis(2-ethylhexyl) S-sodium sulfosuccinate; AI3-00239; Docusate Sod; Sodium 1,4-bis(2-ethylhexyl)sulfosuccinate; 1,4-Bis(2-ethylhexyl) sodium sulfosuccinate; Sodium sulfodi-(2-ethylhexyl)-sulfosuccinate; Senexon-S; Folca[s care pme; Folcal DHA; Senna-S; Di(2-ethylhexyl)sulfosuccinic acid, sodium salt; Bis(ethylhexyl) ester of sodium sulfosuccinic acid; Bis-2-ethylhexylester sulfojantaranu sodneho [Czech]; Colace (TN); Sodium di(2-ethylhexyl)sulfosuccinate; Sulfosuccinic acid, bis(2-ethylhexyl)ester sodium salt; Docusate sodium [USAN:USP:INN:BAN]; Sol sodowej sulfobursztynianu dwu-2-etyloheksylowego [Polish]; Docusate sodium (USP); Bis-2-ethylhexylester sulfojantaranu sodneho; Succinic acid, sulfo-, 1,4-bis(2-ethylhexyl) ester, sodium salt; NCGC00183136-01; Sodium 1,4-bis(2-ethylhexyl) sulfosuccinate; EC 209-406-4; SCHEMBL4113; C20H37O7S.Na; MLS004773938; 1,4-Bis(2-ethylhexyl)sulfobutanedioate, sodium salt; Sol sodowej sulfobursztynianu dwu-2-etyloheksylowego; CHEBI:4674; CHEMBL1905872; DTXSID8022959; Correctol Stool Softener Laxative; Sulfosuccinic acid, di-(2-ethylhexyl) ester, sodium salt; HMS3264P07; HMS3885B10; BCP31325; HY-B1268; 4-(4-Bromophenoxymethyl)benzoicacid; Aerosol?OT, Solid Anhydrous; Dioctyl sodium sulfosuccinate (JAN); Sodium dioctyl sulfosuccinate (INN); Tox21_112087; Tox21_113469; Tox21_201342; Tox21_300496; s4588; DIOCTYL DISODIUM SULFOSUCCINATE; AKOS015901806; CCG-213234; CS-4813; Sodium Di(2-ethylhexyl) Sulfosuccinate; Docusate sodium salt, BioXtra, >=99%; Dioctyl sulfosuccinate sodium salt, 96%; NCGC00164140-01; NCGC00254414-01; NCGC00258894-01; AK397808; AS-13347; E480; H957; SMR001595510; Aerosol?OT Solution, 10% (w/w); Dioctyl Sodium Sulfosuccinate with Ethanol; Bis(2-ethylhexyl) sulfosuccinatesodium salt; Dioctyl sulfosuccinate sodium salt, >=97%; FT-0689234; D00305; Docusate sodium salt, p.a., 99.0-100.5%; 24978-EP2287154A1; 24978-EP2308848A1; 24978-EP2314574A1; 88565-EP2298076A1; 88565-EP2298077A1; 88565-EP2301353A1; 88565-EP2305031A1; 88565-EP2305034A1; 88565-EP2305035A1; Docusate sodium salt, purum, >=96.0% (TLC); Docusate sodium salt, BioUltra, >=99.0% (TLC); Docusate sodium, meets USP testing specifications; Dioctyl Sodium Sulfosuccinate with Diethylene Glycol; Dioctyl Sodium Sulfosuccinate with Propylene Glycol; Q2815334; W-105447; F8880-5559; Sulfobutanedioic acid bis(2-ethylhexyl ester) sodium salt; Docusate sodium, British Pharmacopoeia (BP) Reference Standard; Docusate sodium, European Pharmacopoeia (EP) Reference Standard; sodium 1,4-bis(2-ethylhexyloxy)-1,4-dioxobutane-2-sulfonate; Docusate sodium, United States Pharmacopeia (USP) Reference Standard; Dioctyl Sodium Sulfosuccinate with Diethylene Glycol and Glycol Ethers; 1,4-bis(2-ethylhexyl)sodiumsulfosuccinate pound>>Dioctyl sulfosuccinate sodium salt
DIG Function
Surfactant
PubChem CID
23673837
Formula
C20H37NaO7S
Canonical SMILES
CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].[Na+]
InChI
1S/C20H38O7S.Na/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+1/p-1
InChIKey
APSBXTVYXVQYAB-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=23673837"></iframe>
3D MOL is not available 2D MOL
Physicochemical Properties Molecular Weight 444.6 Topological Polar Surface Area 118
XlogP N.A. Complexity 546
Heavy Atom Count 29 Rotatable Bond Count 18
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 7
Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
       ICD Disease Classification 01 Infectious/parasitic disease Click to Show/Hide
Ethambutol
 API Info
Pulmonary tuberculosis [ICD-11: 1B10]
 [1]
Sulfadiazine
 API Info
Toxoplasmosis [ICD-11: 1F57]
 [2]
       ICD Disease Classification 02 Benign/in-situ/malignant neoplasm Click to Show/Hide
Prednisolone
 API Info
Multiple myeloma [ICD-11: 2A83]
 [3]
Nilutamide
 API Info
Prostate cancer [ICD-11: 2C82]
 [4]
       ICD Disease Classification 05 Endocrine/nutritional/metabolic disease Click to Show/Hide
Fenofibrate
 API Info
Hypertriglyceridaemia [ICD-11: 5C80]
 [5]
Propylthiouracil
 API Info
Thyrotoxicosis [ICD-11: 5A02]
 [6]
       ICD Disease Classification 06 Mental/behavioural/neurodevelopmental disorder Click to Show/Hide
Risperidone
 API Info
Schizophrenia [ICD-11: 6A20]
 [7]
Alprazolam
 API Info
Anxiety disorder [ICD-11: 6B00]
 [8]
Imipramine
 API Info
Major depressive disorder [ICD-11: 6A70]
 [9]
Carisoprodol
 API Info
Major depressive disorder [ICD-11: 6A70]
 [10]
       ICD Disease Classification 07 Sleep-wake disorder Click to Show/Hide
Estazolam
 API Info
Insomnia [ICD-11: 7A00]
 [11]
Triazolam
 API Info
Insomnia [ICD-11: 7A00]
 [12]
       ICD Disease Classification 08 Nervous system disease Click to Show/Hide
Primidone
 API Info
Epilepsy [ICD-11: 8A60]
 [13]
Chlorzoxazone
 API Info
Anaesthesia [ICD-11: 8E22]
 [14]
Phenobarbital
 API Info
Epilepsy [ICD-11: 8A60]
 [15]
       ICD Disease Classification 11 Circulatory system disease Click to Show/Hide
Spironolactone
 API Info
Congestive heart failure [ICD-11: BD10]
 [16]
Minoxidil
 API Info
Essential hypertension [ICD-11: BA00]
 [17]
       ICD Disease Classification 13 Digestive system disease Click to Show/Hide
Doxycycline
 API Info
Periodontal disease [ICD-11: DA0C]
 [18]
Bisacodyl
 API Info
Irritable bowel syndrome [ICD-11: DD91]
 [19]
       ICD Disease Classification 14 Skin disease Click to Show/Hide
Hydrochlorothiazide
 API Info
Luid retention [ICD-11: EF02]
 [20]
       ICD Disease Classification 15 Musculoskeletal/connective-tissue disease Click to Show/Hide
Prednisone
 API Info
Rheumatoid arthritis [ICD-11: FA20]
 [21]
Rifampicin
 API Info
Osteoporosis [ICD-11: FB83]
 [22]
       ICD Disease Classification 16 Genitourinary system disease Click to Show/Hide
Finasteride
 API Info
Prostatic hyperplasia [ICD-11: GA90]
 [23]
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Oxidoreductase (ORase)
            DBT Name: Albendazole monooxygenase (CYP3A4) 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 = 65 uM (tested by experiment) [24]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CP3A4_HUMAN
            DBT Name: Cytochrome P450 2E1 (CYP2E1) 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 = 141.8 uM (tested by experiment) [24]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CP2E1_HUMAN
            DBT Name: Cytochrome P450 2C9 (CYP2C9) 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 = 203.3 uM (tested by experiment) [24]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CP2C9_HUMAN
            DBT Name: Mephenytoin 4-hydroxylase (CYP2C19) 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 = 372 uM (tested by experiment) [24]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CP2CJ_HUMAN
            DBT Name: Debrisoquine 4-hydroxylase (CYP2D6) 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 = 95.5 uM (tested by experiment) [24]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CP2D6_HUMAN
            DBT Name: Cytochrome P450 3A5 (CYP3A5) 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 = 195.8 uM (tested by experiment) [24]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CP3A5_HUMAN
      Hydrolase (HDase)
            DBT Name: Histone deacetylase (HDAC) 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 = 9600 nM (estimated based on the structural similarity with CHEMBL271677 ) [25]
                    Structural Similarity Tanimoto coefficient = 0.824561404
                    Tested Species Homo sapiens (Human)
                    UniProt ID HDAC1_HUMAN ; HDAC2_HUMAN ; HDAC3_HUMAN ; HDAC4_HUMAN ; HDAC5_HUMAN ; HDAC6_HUMAN ; HDAC7_HUMAN ; HDAC8_HUMAN ; HDAC9_HUMAN
      Lyase/isomerase/ligase (L/I/G)
            DBT Name: Cholesterol 25-hydroxylase (CYP1A2) 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 = 147.4 uM (tested by experiment) [24]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CP1A2_HUMAN
      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 (1) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity Inhibition ratio = 87.8 % (tested by experiment) [26]
                    Tested Species Homo sapiens (Human)
                    UniProt ID SO2B1_HUMAN
               Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity Ki = 2.76 uM (tested by experiment) [26]
                    Tested Species Homo sapiens (Human)
                    UniProt ID SO2B1_HUMAN
               Experiment (3) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity Ki = 2.3 uM (tested by experiment) [27]
                    Tested Species Homo sapiens (Human)
                    UniProt ID SO2B1_HUMAN
      Cell line (CELL)
            DBT Name: Lung cancer A-549 cells (A-549) 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 = 154000 nM (estimated based on the structural similarity with CHEMBL271677 ) [25]
                    Structural Similarity Tanimoto coefficient = 0.824561404
                    Tested Species Homo sapiens (Human)
                    Cellosaurus ID CVCL_0023
References
1 FDA label for approved ethambutol from the official website of the U.S. Food and Drug Administration.
2 FDA label for approved sulfadiazine from the official website of the U.S. Food and Drug Administration.
3 FDA label for approved prednisolone from the official website of the U.S. Food and Drug Administration.
4 FDA label for approved nilutamide from the official website of the U.S. Food and Drug Administration.
5 FDA label for approved fenofibrate from the official website of the U.S. Food and Drug Administration.
6 FDA label for approved propylthiouracil from the official website of the U.S. Food and Drug Administration.
7 FDA label for approved risperidone from the official website of the U.S. Food and Drug Administration.
8 FDA label for approved alprazolam from the official website of the U.S. Food and Drug Administration.
9 FDA label for approved imipramine from the official website of the U.S. Food and Drug Administration.
10 FDA label for approved carisoprodol from the official website of the U.S. Food and Drug Administration.
11 FDA label for approved estazolam from the official website of the U.S. Food and Drug Administration.
12 FDA label for approved triazolam from the official website of the U.S. Food and Drug Administration.
13 FDA label for approved primidone from the official website of the U.S. Food and Drug Administration.
14 FDA label for approved chlorzoxazone from the official website of the U.S. Food and Drug Administration.
15 FDA label for approved phenobarbital from the official website of the U.S. Food and Drug Administration.
16 FDA label for approved spironolactone from the official website of the U.S. Food and Drug Administration.
17 FDA label for approved minoxidil from the official website of the U.S. Food and Drug Administration.
18 FDA label for approved doxycycline from the official website of the U.S. Food and Drug Administration.
19 FDA label for approved bisacodyl from the official website of the U.S. Food and Drug Administration.
20 FDA label for approved hydrochlorothiazide from the official website of the U.S. Food and Drug Administration.
21 FDA label for approved prednisone from the official website of the U.S. Food and Drug Administration.
22 FDA label for approved rifampicin from the official website of the U.S. Food and Drug Administration.
23 FDA label for approved finasteride from the official website of the U.S. Food and Drug Administration.
24 Mediation of in vitro cytochrome p450 activity by common pharmaceutical excipients. Mol Pharm. 2013 Jul 1;10(7):2739-48.
25 New sulfurated derivatives of valproic acid with enhanced histone deacetylase inhibitory activity. Bioorg Med Chem Lett. 2008 Mar 15; 18(6):1893-7.
26 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.
27 The activities of drug inactive ingredients on biological targets. Science. 2020 Jul 24;369(6502):403-413.

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