NAV

Octyldodecanol

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

Identification

Generic Name
Octyldodecanol
DrugBank Accession Number
DB14134
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Similar Structures
Weight
Average: 298.555
Monoisotopic: 298.323565972
Chemical Formula
C20H42O
Synonyms
  • 2-Octyl dodecanol
  • 2-Octyl-1-dodecanol
  • 2-Octyldodecyl alcohol
  • Octyl dodecanol
External IDs
  • BRN 1763479
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Pharmacology

Indication

Not Available

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Associated Therapies
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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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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Over the Counter Products
NameDosageStrengthRouteLabellerMarketing StartMarketing EndRegionImage
Wakemake Lip Coaster S01 Giant BrownLipstick0.28 g/3.5gTopicalCJ OliveNetworks Co., Ltd.2017-07-012018-12-01US flag
Wakemake Lip Coaster S03 Red CoasterLipstick0.28 g/3.5gTopicalCJ OliveNetworks Co., Ltd.2017-07-012018-12-01US flag
Wakemake Lip Coaster S06 Gyro PinkLipstick0.28 g/3.5gTopicalCJ OliveNetworks Co., Ltd.2017-07-012018-12-01US flag
Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
Wakemake Lip Coaster S01 Giant BrownOctyldodecanol (0.28 g/3.5g)LipstickTopicalCJ OliveNetworks Co., Ltd.2017-07-012018-12-01US flag
Wakemake Lip Coaster S03 Red CoasterOctyldodecanol (0.28 g/3.5g)LipstickTopicalCJ OliveNetworks Co., Ltd.2017-07-012018-12-01US flag
Wakemake Lip Coaster S06 Gyro PinkOctyldodecanol (0.28 g/3.5g)LipstickTopicalCJ OliveNetworks Co., Ltd.2017-07-012018-12-01US flag

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Fatty Acyls
Sub Class
Fatty alcohols
Direct Parent
Fatty alcohols
Alternative Parents
Primary alcohols / Hydrocarbon derivatives
Substituents
Alcohol / Aliphatic acyclic compound / Fatty alcohol / Hydrocarbon derivative / Organic oxygen compound / Organooxygen compound / Primary alcohol
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
461N1O614Y
CAS number
5333-42-6
InChI Key
LEACJMVNYZDSKR-UHFFFAOYSA-N
InChI
InChI=1S/C20H42O/c1-3-5-7-9-11-12-14-16-18-20(19-21)17-15-13-10-8-6-4-2/h20-21H,3-19H2,1-2H3
IUPAC Name
2-octyldodecan-1-ol
SMILES
CCCCCCCCCCC(CO)CCCCCCCC

References

General References
Not Available
ChemSpider
20125
RxNav
1367124
ChEMBL
CHEMBL1572050
Wikipedia
Alcohol

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
CreamTopical
LipstickTopical0.28 g/3.5g
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility3.06e-05 mg/mLALOGPS
logP8.9ALOGPS
logP7.84Chemaxon
logS-7ALOGPS
pKa (Strongest Acidic)17.68Chemaxon
pKa (Strongest Basic)-1.6Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area20.23 Å2Chemaxon
Rotatable Bond Count17Chemaxon
Refractivity95.62 m3·mol-1Chemaxon
Polarizability42.32 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0090000000-ac325d15108b4023232e
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-001j-2290000000-59ae3ef7a9b5421053fc
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00mk-0090000000-a9a6c9af09910d25a72f
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ac9-9340000000-c28e803e657d88a05378
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00ba-0590000000-0648560c0b70f4ef39b8
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-052f-9310000000-be41840c6ebe139b01a1
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]-179.81139
predicted
DeepCCS 1.0 (2019)
[M+H]+182.66838
predicted
DeepCCS 1.0 (2019)
[M+Na]+191.51797
predicted
DeepCCS 1.0 (2019)

Drug created at June 27, 2018 16:50 / Updated at June 12, 2020 16:53