NAV

Ethyl salicylate

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Summary

Ethyl salicylate is a salicylate indicated in the treatment of sports related pain.

Generic Name
Ethyl salicylate
DrugBank Accession Number
DB15576
Background

Not Available

Type
Small Molecule
Groups
Approved, Experimental
Structure
3D
Similar Structures
Weight
Average: 166.1739
Monoisotopic: 166.062994186
Chemical Formula
C9H10O3
Synonyms
  • Ethyl 2-hydroxybenzoate
  • Ethyl o-hydroxybenzoate
  • Ethyl salicylate
  • Salicyclic acid, ethyl ester
  • Salicylic ether
  • Salicylic ethyl ester
External IDs
  • FEMA No. 2458
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Pharmacology

Indication

Not Available

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Associated Conditions
Indication TypeIndicationCombined Product DetailsApproval LevelAge GroupPatient CharacteristicsDose Form
Used in combination for symptomatic treatment ofArthritisCombination Product in combination with: Glycol salicylate (DB11323), Methyl nicotinate (DB13882), Methyl salicylate (DB09543)••• ••••••••••• •••••
Used in combination for symptomatic treatment ofBack pain lower backCombination Product in combination with: Glycol salicylate (DB11323), Methyl salicylate (DB09543), Methyl nicotinate (DB13882)••• ••••••••••• •••••
Used in combination for symptomatic treatment ofFibromyalgia syndromeCombination Product in combination with: Methyl nicotinate (DB13882), Methyl salicylate (DB09543), Glycol salicylate (DB11323)••• ••••••••••• •••••
Used in combination for symptomatic treatment ofRheumatismCombination Product in combination with: Methyl nicotinate (DB13882), Glycol salicylate (DB11323), Methyl salicylate (DB09543)••• ••••••••••• •••••
Used in combination for symptomatic treatment ofSoreness, muscleCombination Product in combination with: Methyl nicotinate (DB13882), Methyl salicylate (DB09543), Glycol salicylate (DB11323)••• ••••••••••• •••••
Contraindications & Blackbox Warnings
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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
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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

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Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
Deep Heat Sports Pain Relief SprayEthyl salicylate (5 % w/w) + Glycol salicylate (5 % w/w) + Methyl nicotinate (1.6 % w/w) + Methyl salicylate (1 % w/w)Aerosol, sprayTopicalROHTO-MENTHOLATUM (M) SDN. BHD.2020-09-082022-02-08Malaysia flag
Sun Pacer Sunless Tanning Lotion SPF 15Ethyl salicylate (5 %) + Octinoxate (7 %) + Oxybenzone (4 %)LotionTopicalAmway Corporation1991-12-311999-08-04Canada flag
Ultraplast Analgesic SprayEthyl salicylate (4.8 %) + Glycol salicylate (4.8 %) + Methyl nicotinate (1.6 %) + Methyl salicylate (.96 %)AerosolTopicalWallace, Cameron and Company Ltd.1985-12-312000-07-31Canada flag

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
555U6TZ2MV
CAS number
118-61-6
InChI Key
GYCKQBWUSACYIF-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6,10H,2H2,1H3
IUPAC Name
ethyl 2-hydroxybenzoate
SMILES
CCOC(=O)C1=CC=CC=C1O

References

General References
  1. NPRA: Deep Heat Sports Pain Relief (Ethyl Salicylate, Glycol Salicylate, Methyl Nicotinate, and Methyl Salicylate) Topical Aerosol [Link]
Human Metabolome Database
HMDB0029817
ChemSpider
21105897
RxNav
1546423
ChEBI
88839
ChEMBL
CHEMBL2251610
ZINC
ZINC000000157490
Wikipedia
Ethyl_salicylate

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Aerosol, sprayTopical
GelTopical
LotionTopical
AerosolTopical
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility3.07 mg/mLALOGPS
logP2.76ALOGPS
logP2.68Chemaxon
logS-1.7ALOGPS
pKa (Strongest Acidic)9.72Chemaxon
pKa (Strongest Basic)-4.3Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area46.53 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity44.81 m3·mol-1Chemaxon
Polarizability16.81 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-00di-3900000000-76416e68288f87d1b2fb
GC-MS Spectrum - EI-BGC-MSsplash10-00di-5900000000-f5eb6e8bd07e0d734060
GC-MS Spectrum - EI-BGC-MSsplash10-00xu-8900000000-86cbf27957a874eacf48
GC-MS Spectrum - EI-BGC-MSsplash10-00di-6900000000-8e32263351a87a3cac48
Mass Spectrum (Electron Ionization)MSsplash10-00di-6900000000-fbc256a2ef3e0b3ff3bb
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-3900000000-2be7f045bd8bac63709f
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9300000000-17fae190a104ee033376
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9100000000-eec347b2c4302e829094
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-4900000000-9b7c7a8dd9a027e69406
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-ee133c1f8bc706a55292
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-6900000000-57a77e7f7b8e3b2928ea
1H NMR Spectrum1D NMRNot Applicable
13C NMR Spectrum1D NMRNot Applicable
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-137.6243379
predicted
DarkChem Lite v0.1.0
[M-H]-137.2888379
predicted
DarkChem Lite v0.1.0
[M-H]-137.1130379
predicted
DarkChem Lite v0.1.0
[M-H]-132.70576
predicted
DeepCCS 1.0 (2019)
[M+H]+137.9322379
predicted
DarkChem Lite v0.1.0
[M+H]+137.5225379
predicted
DarkChem Lite v0.1.0
[M+H]+137.7632379
predicted
DarkChem Lite v0.1.0
[M+H]+136.36584
predicted
DeepCCS 1.0 (2019)
[M+Na]+137.7332379
predicted
DarkChem Lite v0.1.0
[M+Na]+137.2463379
predicted
DarkChem Lite v0.1.0
[M+Na]+137.1463379
predicted
DarkChem Lite v0.1.0
[M+Na]+145.58531
predicted
DeepCCS 1.0 (2019)

Drug created at November 29, 2019 16:28 / Updated at May 14, 2021 01:07