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
Structure for Octyldodecanol (DB14134)
- 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
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Associated Therapies
- Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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.- Over the Counter Products
Name Dosage Strength Route Labeller Marketing Start Marketing End Region Image Wakemake Lip Coaster S01 Giant Brown Lipstick 0.28 g/3.5g Topical CJ OliveNetworks Co., Ltd. 2017-07-01 2018-12-01 US 
Wakemake Lip Coaster S03 Red Coaster Lipstick 0.28 g/3.5g Topical CJ OliveNetworks Co., Ltd. 2017-07-01 2018-12-01 US Wakemake Lip Coaster S06 Gyro Pink Lipstick 0.28 g/3.5g Topical CJ OliveNetworks Co., Ltd. 2017-07-01 2018-12-01 US - Unapproved/Other Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image Wakemake Lip Coaster S01 Giant Brown Octyldodecanol (0.28 g/3.5g) Lipstick Topical CJ OliveNetworks Co., Ltd. 2017-07-01 2018-12-01 US Wakemake Lip Coaster S03 Red Coaster Octyldodecanol (0.28 g/3.5g) Lipstick Topical CJ OliveNetworks Co., Ltd. 2017-07-01 2018-12-01 US Wakemake Lip Coaster S06 Gyro Pink Octyldodecanol (0.28 g/3.5g) Lipstick Topical CJ OliveNetworks Co., Ltd. 2017-07-01 2018-12-01 US
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
- External Links
- ChemSpider
- 20125
- 1367124
- ChEMBL
- CHEMBL1572050
- Wikipedia
- Alcohol
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Cream Topical Lipstick Topical 0.28 g/3.5g - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 3.06e-05 mg/mL ALOGPS logP 8.9 ALOGPS logP 7.84 Chemaxon logS -7 ALOGPS pKa (Strongest Acidic) 17.68 Chemaxon pKa (Strongest Basic) -1.6 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 20.23 Å2 Chemaxon Rotatable Bond Count 17 Chemaxon Refractivity 95.62 m3·mol-1 Chemaxon Polarizability 42.32 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No 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 splash10-0002-0090000000-ac325d15108b4023232e Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-001j-2290000000-59ae3ef7a9b5421053fc Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-00mk-0090000000-a9a6c9af09910d25a72f Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0ac9-9340000000-c28e803e657d88a05378 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-00ba-0590000000-0648560c0b70f4ef39b8 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-052f-9310000000-be41840c6ebe139b01a1 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]- 179.81139 predictedDeepCCS 1.0 (2019) [M+H]+ 182.66838 predictedDeepCCS 1.0 (2019) [M+Na]+ 191.51797 predictedDeepCCS 1.0 (2019)
Drug created at June 27, 2018 16:50 / Updated at June 12, 2020 16:53