General Information of DIG (ID: E0RS6F)
DIG Name
Sodium stearyl fumarate
Synonyms    Click to Show/Hide the Synonyms of This DIG
Sodium stearyl fumarate; Pruv; SODIUM OCTADECYL FUMARATE; 4070-80-8; UNII-7CV7WJK4UI; 7CV7WJK4UI; Sodium stearyl fumarate [NF]; sodium;(E)-4-octadecoxy-4-oxobut-2-enoate; Sodium stearyl fumarate (NF); Sodium monostearyl fumarate; Sodium monooctadecyl fumarate; EINECS 223-781-1; Sodium monooctadecyl 2-butenedioate, (E)-; stearyl fumarate sodium; SCHEMBL25393; SCHEMBL25396; CHEMBL2107515; 2-Butenedioic acid (E)-, monoactadecyl ester, sodium salt; DTXSID901021880; AKOS015899539; Fumaric Acid Stearyl Ester Sodium Salt; Fumaric Acid Octadecyl Ester Sodium Salt; S0879; D05876; Fumaric acid, monooctadecyl ester, sodium salt; Q27268090
DIG Function
lubricant
PubChem CID
23665634
Formula
C22H39NaO4
Canonical SMILES
CCCCCCCCCCCCCCCCCCOC(=O)/C=C/C(=O)[O-].[Na+]
InChI
1S/C22H40O4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(25)19-18-21(23)24;/h18-19H,2-17,20H2,1H3,(H,23,24);/q;+1/p-1/b19-18+;
InChIKey
STFSJTPVIIDAQX-LTRPLHCISA-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=23665634"></iframe>
3D MOL is not available 2D MOL
Physicochemical Properties Molecular Weight 390.5 Topological Polar Surface Area 66.4
XlogP N.A. Complexity 369
Heavy Atom Count 27 Rotatable Bond Count 20
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4
Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
       ICD Disease Classification 01 Infectious/parasitic disease Click to Show/Hide
Minocycline
API Info
Streptococcus bacterial infection [ICD-11: 1C41]
[1]
Valacyclovir
API Info
Herpes zoster [ICD-11: 1E91]
[2]
Oseltamivir
API Info
Influenza virus infection [ICD-11: 1E30]
[3]
Famciclovir
API Info
Genital herpes [ICD-11: 1A94]
[4]
Linezolid
API Info
Streptococcus bacterial infection [ICD-11: 1C41]
[5]
Raltegravir
API Info
Human immunodeficiency virus infection [ICD-11: 1C60]
[6]
Entecavir
API Info
Viral hepatitis [ICD-11: 1E51]
[7]
Nevirapine
API Info
Human immunodeficiency virus infection [ICD-11: 1C60]
[8]
Ritonavir
API Info
Human immunodeficiency virus infection [ICD-11: 1C60]
[9]
Dolutegravir
API Info
Human immunodeficiency virus infection [ICD-11: 1C60]
[10]
Moxifloxacin
API Info
Streptococcus bacterial infection [ICD-11: 1C41]
[11]
Telaprevir
API Info
Viral hepatitis [ICD-11: 1E51]
[12]
Bedaquiline
API Info
Pulmonary tuberculosis [ICD-11: 1B10]
[13]
       ICD Disease Classification 02 Benign/in-situ/malignant neoplasm Click to Show/Hide
Nicotinic acid
API Info
Lung cancer [ICD-11: 2C25]
[14]
Prednisolone
API Info
Multiple myeloma [ICD-11: 2A83]
[15]
Imatinib
API Info
Leiomyosarcoma [ICD-11: 2B58]
[16]
Abemaciclib
API Info
Breast cancer [ICD-11: 2C60]
[17]
Cyclophosphamide
API Info
Multiple myeloma [ICD-11: 2A83]
[18]
Pomalidomide
API Info
Breast cancer [ICD-11: 2C60]
[19]
Olaparib
API Info
Ovarian cancer [ICD-11: 2C73]
[20]
Venetoclax
API Info
Chronic lymphocytic leukaemia [ICD-11: 2A82]
[21]
Osimertinib
API Info
Lung cancer [ICD-11: 2C25]
[22]
       ICD Disease Classification 05 Endocrine/nutritional/metabolic disease Click to Show/Hide
Fenofibrate
API Info
Hypertriglyceridaemia [ICD-11: 5C80]
[23]
Atorvastatin
API Info
Hyperlipidaemia [ICD-11: 5C8Z]
[24]
Potassium chloride
API Info
Hypokalemia [ICD-11: 5C77]
[25]
Pravastatin
API Info
Dyslipidaemia [ICD-11: 5C81]
[26]
Glipizide
API Info
Diabetes mellitus [ICD-11: 5A10]
[27]
Rosuvastatin
API Info
Hypertriglyceridaemia [ICD-11: 5C80]
[28]
Calcium acetate
API Info
Hyperphosphatemia [ICD-11: 5C64]
[29]
Fenofibric acid
API Info
Dyslipidaemia [ICD-11: 5C81]
[30]
Nateglinide
API Info
Diabetes mellitus [ICD-11: 5A10]
[31]
Ezetimibe
API Info
Hypertriglyceridaemia [ICD-11: 5C80]
[32]
Sitagliptin
API Info
Diabetes mellitus [ICD-11: 5A10]
[33]
       ICD Disease Classification 06 Mental/behavioural/neurodevelopmental disorder Click to Show/Hide
Risperidone
API Info
Schizophrenia [ICD-11: 6A20]
[34]
Bupropion
API Info
Nicotine dependence [ICD-11: 6C4A]
[35]
Lamotrigine
API Info
Bipolar disorder [ICD-11: 6A60]
[36]
Venlafaxine
API Info
Major depressive disorder [ICD-11: 6A70]
[37]
Olanzapine
API Info
Schizophrenia [ICD-11: 6A20]
[38]
Methylphenidate
API Info
Attention deficit hyperactivity disorder [ICD-11: 6A05]
[39]
Mirtazapine
API Info
Major depressive disorder [ICD-11: 6A70]
[40]
Fluvoxamine
API Info
Obsessive-compulsive disorder [ICD-11: 6B20]
[41]
Clozapine
API Info
Schizophrenia [ICD-11: 6A20]
[42]
Buprenorphine
API Info
Opiate dependence [ICD-11: 6C43]
[43]
Paliperidone
API Info
Bipolar disorder [ICD-11: 6A60]
[44]
Lorazepam
API Info
Anxiety disorder [ICD-11: 6B00]
[45]
       ICD Disease Classification 07 Sleep-wake disorder Click to Show/Hide
Zolpidem
API Info
Insomnia [ICD-11: 7A00]
[46]
Modafinil
API Info
Narcolepsy [ICD-11: 7A20]
[47]
Armodafinil
API Info
Obstructive sleep apnoea [ICD-11: 7A41]
[48]
       ICD Disease Classification 08 Nervous system disease Click to Show/Hide
Pramipexole
API Info
Parkinsonism [ICD-11: 8A00]
[49]
Tramadol
API Info
Anaesthesia [ICD-11: 8E22]
[50]
Clonazepam
API Info
Epilepsy [ICD-11: 8A60]
[51]
Oxymorphone
API Info
Anaesthesia [ICD-11: 8E22]
[52]
Galantamine
API Info
Alzheimer disease [ICD-11: 8A20]
[53]
Oxcarbazepine
API Info
Epilepsy [ICD-11: 8A60]
[54]
Memantine
API Info
Alzheimer disease [ICD-11: 8A20]
[55]
Rizatriptan
API Info
Migraine [ICD-11: 8A80]
[56]
Donepezil
API Info
Alzheimer disease [ICD-11: 8A20]
[57]
Zolmitriptan
API Info
Migraine [ICD-11: 8A80]
[58]
Almotriptan
API Info
Migraine [ICD-11: 8A80]
[59]
Tetrabenazine
API Info
Huntington disease [ICD-11: 8A01]
[60]
       ICD Disease Classification 11 Circulatory system disease Click to Show/Hide
Aspirin
API Info
Myocardial infarction [ICD-11: BA41]
[61]
Metoprolol
API Info
Essential hypertension [ICD-11: BA00]
[62]
Ramipril
API Info
Essential hypertension [ICD-11: BA00]
[63]
Felodipine
API Info
Essential hypertension [ICD-11: BA00]
[64]
Telmisartan
API Info
Essential hypertension [ICD-11: BA00]
[65]
Trandolapril
API Info
Essential hypertension [ICD-11: BA00]
[66]
Irbesartan
API Info
Essential hypertension [ICD-11: BA00]
[67]
Fosinopril
API Info
Essential hypertension [ICD-11: BA00]
[68]
Flecainide
API Info
Ventricular tachyarrhythmia [ICD-11: BC71]
[69]
       ICD Disease Classification 12 Respiratory system disease Click to Show/Hide
Montelukast
API Info
Asthma [ICD-11: CA23]
[70]
Clarithromycin
API Info
Pneumocystis pneumonia [ICD-11: CA40]
[71]
Loratadine
API Info
Allergic rhinitis [ICD-11: CA08]
[72]
Desloratadine
API Info
Allergic rhinitis [ICD-11: CA08]
[73]
       ICD Disease Classification 13 Digestive system disease Click to Show/Hide
Omeprazole
API Info
Gastro-oesophageal reflux disease [ICD-11: DA22]
[74]
Pantoprazole
API Info
Gastro-oesophageal reflux disease [ICD-11: DA22]
[75]
Meclizine
API Info
Functional nausea/vomiting [ICD-11: DD90]
[76]
Lansoprazole
API Info
Duodenal ulcer [ICD-11: DA63]
[77]
Esomeprazole
API Info
Duodenal ulcer [ICD-11: DA63]
[78]
Ondansetron
API Info
Gastritis [ICD-11: DA42]
[79]
Rabeprazole
API Info
Gastro-oesophageal reflux disease [ICD-11: DA22]
[80]
Aprepitant
API Info
Functional nausea/vomiting [ICD-11: DD90]
[81]
       ICD Disease Classification 14 Skin disease Click to Show/Hide
Demeclocycline
API Info
Acne vulgaris [ICD-11: ED80]
[82]
       ICD Disease Classification 15 Musculoskeletal/connective-tissue disease Click to Show/Hide
Indomethacin
API Info
Rheumatoid arthritis [ICD-11: FA20]
[83]
Celecoxib
API Info
Rheumatoid arthritis [ICD-11: FA20]
[84]
Diclofenac
API Info
Knee osteoarthritis [ICD-11: FA01]
[85]
Meloxicam
API Info
Rheumatoid arthritis [ICD-11: FA20]
[86]
Risedronic acid
API Info
Paget's disease [ICD-11: FB85]
[87]
Metaxalone
API Info
Myalgia [ICD-11: FB56]
[88]
Diflunisal
API Info
Osteoporosis [ICD-11: FB83]
[89]
Ibandronic acid
API Info
Osteoporosis [ICD-11: FB83]
[90]
Raloxifene
API Info
Osteoporosis [ICD-11: FB83]
[91]
Sulfasalazine
API Info
Rheumatoid arthritis [ICD-11: FA20]
[92]
       ICD Disease Classification 16 Genitourinary system disease Click to Show/Hide
Tolterodine
API Info
Overactive bladder [ICD-11: GC50]
[93]
Sevelamer
API Info
Chronic kidney disease [ICD-11: GB61]
[94]
       ICD Disease Classification 17 Sexual health-related condition Click to Show/Hide
Sildenafil
API Info
Erectile dysfunction [ICD-11: HA01]
[95]
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Cell line (CELL)
            DBT Name: Leukemia K562 cells (K562) 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 = 20.2 ug.mL-1 (estimated based on the structural similarity with CHEMBL3126829 ) [96]
                    Structural Similarity Tanimoto coefficient = 0.75
                    Tested Species Homo sapiens (Human)
                    Cellosaurus ID CVCL_0004
            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 = 60 ug.mL-1 (estimated based on the structural similarity with CHEMBL3126829 ) [96]
                    Structural Similarity Tanimoto coefficient = 0.75
                    Tested Species Homo sapiens (Human)
                    Cellosaurus ID CVCL_0031
References
1 FDA label for approved minocycline from the official website of the U.S. Food and Drug Administration.
2 FDA label for approved valacyclovir from the official website of the U.S. Food and Drug Administration.
3 FDA label for approved oseltamivir from the official website of the U.S. Food and Drug Administration.
4 FDA label for approved famciclovir from the official website of the U.S. Food and Drug Administration.
5 FDA label for approved linezolid from the official website of the U.S. Food and Drug Administration.
6 2007 FDA drug approvals: a year of flux. Nat Rev Drug Discov. 2008 Feb;7(2):107-9.
7 FDA label for approved entecavir from the official website of the U.S. Food and Drug Administration.
8 FDA label for approved nevirapine from the official website of the U.S. Food and Drug Administration.
9 FDA label for approved ritonavir from the official website of the U.S. Food and Drug Administration.
10 FDA label for approved dolutegravir from the official website of the U.S. Food and Drug Administration.
11 FDA label for approved moxifloxacin from the official website of the U.S. Food and Drug Administration.
12 FDA label for approved telaprevir from the official website of the U.S. Food and Drug Administration.
13 FDA label for approved bedaquiline from the official website of the U.S. Food and Drug Administration.
14 FDA label for approved nicotinic acid from the official website of the U.S. Food and Drug Administration.
15 FDA label for approved prednisolone from the official website of the U.S. Food and Drug Administration.
16 FDA label for approved imatinib from the official website of the U.S. Food and Drug Administration.
17 2017 FDA drug approvals. Nat Rev Drug Discov. 2018 Feb;17(2):81-85.
18 FDA label for approved cyclophosphamide from the official website of the U.S. Food and Drug Administration.
19 FDA label for approved pomalidomide from the official website of the U.S. Food and Drug Administration.
20 FDA label for approved olaparib from the official website of the U.S. Food and Drug Administration.
21 FDA label for approved venetoclax from the official website of the U.S. Food and Drug Administration.
22 FDA label for approved osimertinib from the official website of the U.S. Food and Drug Administration.
23 FDA label for approved fenofibrate from the official website of the U.S. Food and Drug Administration.
24 FDA label for approved atorvastatin from the official website of the U.S. Food and Drug Administration.
25 FDA label for approved potassium chloride from the official website of the U.S. Food and Drug Administration.
26 FDA label for approved pravastatin from the official website of the U.S. Food and Drug Administration.
27 FDA label for approved glipizide from the official website of the U.S. Food and Drug Administration.
28 FDA label for approved rosuvastatin from the official website of the U.S. Food and Drug Administration.
29 FDA label for approved calcium acetate from the official website of the U.S. Food and Drug Administration.
30 FDA label for approved fenofibric acid from the official website of the U.S. Food and Drug Administration.
31 FDA label for approved nateglinide from the official website of the U.S. Food and Drug Administration.
32 FDA label for approved ezetimibe from the official website of the U.S. Food and Drug Administration.
33 FDA label for approved sitagliptin from the official website of the U.S. Food and Drug Administration.
34 FDA label for approved risperidone from the official website of the U.S. Food and Drug Administration.
35 FDA label for approved bupropion from the official website of the U.S. Food and Drug Administration.
36 FDA label for approved lamotrigine from the official website of the U.S. Food and Drug Administration.
37 FDA label for approved venlafaxine from the official website of the U.S. Food and Drug Administration.
38 FDA label for approved olanzapine from the official website of the U.S. Food and Drug Administration.
39 FDA label for approved methylphenidate from the official website of the U.S. Food and Drug Administration.
40 FDA label for approved mirtazapine from the official website of the U.S. Food and Drug Administration.
41 FDA label for approved fluvoxamine from the official website of the U.S. Food and Drug Administration.
42 FDA label for approved clozapine from the official website of the U.S. Food and Drug Administration.
43 FDA label for approved buprenorphine from the official website of the U.S. Food and Drug Administration.
44 FDA label for approved paliperidone from the official website of the U.S. Food and Drug Administration.
45 FDA label for approved lorazepam from the official website of the U.S. Food and Drug Administration.
46 FDA label for approved zolpidem from the official website of the U.S. Food and Drug Administration.
47 FDA label for approved modafinil from the official website of the U.S. Food and Drug Administration.
48 FDA label for approved armodafinil from the official website of the U.S. Food and Drug Administration.
49 FDA label for approved pramipexole from the official website of the U.S. Food and Drug Administration.
50 FDA label for approved tramadol from the official website of the U.S. Food and Drug Administration.
51 FDA label for approved clonazepam from the official website of the U.S. Food and Drug Administration.
52 FDA label for approved oxymorphone from the official website of the U.S. Food and Drug Administration.
53 FDA label for approved galantamine from the official website of the U.S. Food and Drug Administration.
54 FDA label for approved oxcarbazepine from the official website of the U.S. Food and Drug Administration.
55 FDA label for approved memantine from the official website of the U.S. Food and Drug Administration.
56 FDA label for approved rizatriptan from the official website of the U.S. Food and Drug Administration.
57 FDA label for approved donepezil from the official website of the U.S. Food and Drug Administration.
58 FDA label for approved zolmitriptan from the official website of the U.S. Food and Drug Administration.
59 FDA label for approved almotriptan from the official website of the U.S. Food and Drug Administration.
60 FDA label for approved tetrabenazine from the official website of the U.S. Food and Drug Administration.
61 FDA label for approved aspirin from the official website of the U.S. Food and Drug Administration.
62 FDA label for approved metoprolol from the official website of the U.S. Food and Drug Administration.
63 FDA label for approved ramipril from the official website of the U.S. Food and Drug Administration.
64 FDA label for approved felodipine from the official website of the U.S. Food and Drug Administration.
65 FDA label for approved telmisartan from the official website of the U.S. Food and Drug Administration.
66 FDA label for approved trandolapril from the official website of the U.S. Food and Drug Administration.
67 FDA label for approved irbesartan from the official website of the U.S. Food and Drug Administration.
68 FDA label for approved fosinopril from the official website of the U.S. Food and Drug Administration.
69 FDA label for approved flecainide from the official website of the U.S. Food and Drug Administration.
70 FDA label for approved montelukast from the official website of the U.S. Food and Drug Administration.
71 FDA label for approved clarithromycin from the official website of the U.S. Food and Drug Administration.
72 FDA label for approved loratadine from the official website of the U.S. Food and Drug Administration.
73 FDA label for approved desloratadine from the official website of the U.S. Food and Drug Administration.
74 FDA label for approved omeprazole from the official website of the U.S. Food and Drug Administration.
75 FDA label for approved pantoprazole from the official website of the U.S. Food and Drug Administration.
76 FDA label for approved meclizine from the official website of the U.S. Food and Drug Administration.
77 FDA label for approved lansoprazole from the official website of the U.S. Food and Drug Administration.
78 FDA label for approved esomeprazole from the official website of the U.S. Food and Drug Administration.
79 FDA label for approved ondansetron from the official website of the U.S. Food and Drug Administration.
80 FDA label for approved rabeprazole from the official website of the U.S. Food and Drug Administration.
81 FDA label for approved aprepitant from the official website of the U.S. Food and Drug Administration.
82 FDA label for approved demeclocycline from the official website of the U.S. Food and Drug Administration.
83 FDA label for approved indomethacin from the official website of the U.S. Food and Drug Administration.
84 FDA label for approved celecoxib from the official website of the U.S. Food and Drug Administration.
85 FDA label for approved diclofenac from the official website of the U.S. Food and Drug Administration.
86 FDA label for approved meloxicam from the official website of the U.S. Food and Drug Administration.
87 FDA label for approved risedronic acid from the official website of the U.S. Food and Drug Administration.
88 FDA label for approved metaxalone from the official website of the U.S. Food and Drug Administration.
89 FDA label for approved diflunisal from the official website of the U.S. Food and Drug Administration.
90 FDA label for approved ibandronic acid from the official website of the U.S. Food and Drug Administration.
91 FDA label for approved raloxifene from the official website of the U.S. Food and Drug Administration.
92 FDA label for approved sulfasalazine from the official website of the U.S. Food and Drug Administration.
93 FDA label for approved tolterodine from the official website of the U.S. Food and Drug Administration.
94 FDA label for approved sevelamer from the official website of the U.S. Food and Drug Administration.
95 FDA label for approved sildenafil from the official website of the U.S. Food and Drug Administration.
96 Synthesis and evaluation of (-)-Massoialactone and analogues as potential anticancer and anti-inflammatory agents. Eur J Med Chem. 2014 Apr 9; 76:291-300.

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