Methyl salicylate 2-ethylbutyrate
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Methyl salicylate 2-ethylbutyrate
- DrugBank Accession Number
- DB14130
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 250.294
Monoisotopic: 250.12050906 - Chemical Formula
- C14H18O4
- Synonyms
- Methyl diethylacetylsalicylate
- Salicylic acid, methyl ester, 2-ethylbutyrate
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Mixture Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image Thera Derm Methyl salicylate 2-ethylbutyrate (28 mg/240mg) + 7-Aminodesacetoxycephalosporanic acid (450 mg/240mg) + Camphor leaf oil (6 mg/240mg) + Menthol (13 mg/240mg) + Peppermint oil (13 mg/240mg) Lotion Topical Manna Omni International Incorporated 2017-10-31 Not applicable US Thera Derm Roll On Methyl salicylate 2-ethylbutyrate (18 mg/90mg) + (-)-menthol 1-propylene glycol carbonate (9 mg/90mg) + Camphor (4 mg/90mg) + Peppermint oil (9 mg/90mg) Liquid Topical Manna Omni International Incorporated 2017-07-31 Not applicable US TheraDerm Methyl salicylate 2-ethylbutyrate (24 mg/120mg) + Camphor (5 mg/120mg) + Menthol (12 mg/120mg) + Peppermint oil (12 mg/120mg) Spray Topical Manna Omni International Incorporated 2017-03-17 Not applicable US - Unapproved/Other Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image Thera Derm Methyl salicylate 2-ethylbutyrate (28 mg/240mg) + 7-Aminodesacetoxycephalosporanic acid (450 mg/240mg) + Camphor leaf oil (6 mg/240mg) + Menthol (13 mg/240mg) + Peppermint oil (13 mg/240mg) Lotion Topical Manna Omni International Incorporated 2017-10-31 Not applicable US Thera Derm Roll On Methyl salicylate 2-ethylbutyrate (18 mg/90mg) + (-)-menthol 1-propylene glycol carbonate (9 mg/90mg) + Camphor (4 mg/90mg) + Peppermint oil (9 mg/90mg) Liquid Topical Manna Omni International Incorporated 2017-07-31 Not applicable US TheraDerm Methyl salicylate 2-ethylbutyrate (24 mg/120mg) + Camphor (5 mg/120mg) + Menthol (12 mg/120mg) + Peppermint oil (12 mg/120mg) Spray Topical Manna Omni International Incorporated 2017-03-17 Not applicable US
Categories
- Drug Categories
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- J8D9175Q0G
- CAS number
- 85005-92-1
- InChI Key
- QXNXIPALJCPMNY-UHFFFAOYSA-N
- InChI
- InChI=1S/C14H18O4/c1-4-10(5-2)13(15)18-12-9-7-6-8-11(12)14(16)17-3/h6-10H,4-5H2,1-3H3
- IUPAC Name
- methyl 2-[(2-ethylbutanoyl)oxy]benzoate
- SMILES
- CCC(CC)C(=O)OC1=CC=CC=C1C(=O)OC
References
- General References
- Not Available
- External Links
- ChemSpider
- 731086
- 1921110
- ZINC
- ZINC000000363950
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count Not Available Completed Treatment Hypopituitarism 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Lotion Topical Liquid Topical Spray Topical - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0547 mg/mL ALOGPS logP 3.43 ALOGPS logP 3.72 Chemaxon logS -3.7 ALOGPS pKa (Strongest Basic) -6.8 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 52.6 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 67.62 m3·mol-1 Chemaxon Polarizability 26.83 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0292-7950000000-1c9b3fd2e8d0d1660535 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-00si-9120000000-f738a33768f3a393abcc Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-9500000000-3e7f72a1156987801108 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-9010000000-8c62cb89bf5bb02d500c Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-00dv-9400000000-bdc97e5eabcb8edf9869 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0pw9-9400000000-9af15b014efe8232875a Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 170.8952739 predictedDarkChem Lite v0.1.0 [M+H]+ 171.2775739 predictedDarkChem Lite v0.1.0 [M+Na]+ 171.2866739 predictedDarkChem Lite v0.1.0
Drug created at June 26, 2018 13:24 / Updated at June 12, 2020 16:53