NAV

Ethyl methoxycinnamate

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

Identification

Generic Name
Ethyl methoxycinnamate
DrugBank Accession Number
DB16440
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 206.241
Monoisotopic: 206.094294311
Chemical Formula
C12H14O3
Synonyms
  • Ethyl (E)-4-methoxycinnamate
  • Ethyl (E)-p-methoxycinnamate
  • Ethyl methoxycinnamate
  • Ethyl trans-p-methoxycinnamate
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Pharmacology

Indication

Not Available

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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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International/Other Brands
Solaboost SPF / Uvsob B
Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
SPF 50Ethyl methoxycinnamate (4 mg/50000mg) + Bisoctrizole (3.75 mg/50000mg) + Octocrylene (2.5 mg/50000mg) + Octyl triazone (0.25 mg/50000mg) + Titanium dioxide (1.5 mg/50000mg)CreamCutaneous; TopicalFRIDDA DORSCH SL2020-11-20Not applicableUS flag

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
SD418S06XD
CAS number
24393-56-4
InChI Key
DHNGCHLFKUPGPX-RMKNXTFCSA-N
InChI
InChI=1S/C12H14O3/c1-3-15-12(13)9-6-10-4-7-11(14-2)8-5-10/h4-9H,3H2,1-2H3/b9-6+
IUPAC Name
ethyl (2E)-3-(4-methoxyphenyl)prop-2-enoate
SMILES
CCOC(=O)\C=C\C1=CC=C(OC)C=C1

References

General References
Not Available
Human Metabolome Database
HMDB0030762
KEGG Compound
C10476
ChemSpider
4445096
BindingDB
50486903
RxNav
2468050
ChEMBL
CHEMBL95956
ZINC
ZINC000000899863

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
CreamCutaneous; Topical
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
logP2.71Chemaxon
pKa (Strongest Basic)-4.8Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area35.53 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity59.04 m3·mol-1Chemaxon
Polarizability22.78 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0bt9-0940000000-239644b62fae084e34ee
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-052b-4910000000-bf7343bd70edf696674a
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-053r-2900000000-a39e829c38eb924a5dfb
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0671-4900000000-7f1be05a5cb8927a619d
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0900000000-1e9f5b0e8f9ccf5b4a57
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udl-6910000000-8a937f67b95e74c75100
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]-162.2710581
predicted
DarkChem Lite v0.1.0
[M-H]-162.4323581
predicted
DarkChem Lite v0.1.0
[M-H]-147.83672
predicted
DeepCCS 1.0 (2019)
[M+H]+164.3817581
predicted
DarkChem Lite v0.1.0
[M+H]+164.1329581
predicted
DarkChem Lite v0.1.0
[M+H]+150.19473
predicted
DeepCCS 1.0 (2019)
[M+Na]+163.5752581
predicted
DarkChem Lite v0.1.0
[M+Na]+162.9290581
predicted
DarkChem Lite v0.1.0
[M+Na]+156.28787
predicted
DeepCCS 1.0 (2019)

Drug created at January 17, 2021 17:47 / Updated at January 18, 2021 17:25