This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Caprylyl glycol
- DrugBank Accession Number
- DB14589
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Caprylyl glycol (DB14589)
- Weight
- Average: 146.23
Monoisotopic: 146.13067982 - Chemical Formula
- C8H18O2
- Synonyms
- 1,2-Dihydroxyoctane
- 1,2-Octanediol
- 1,2-Octylene glycol
- Octane-1,2-diol
Pharmacology
- Indication
Not Available
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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.- Mixture Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image YOUNGCELLOGY AIOS LV Serum Caprylyl glycol (2.50 mg/1mL) + Anemarrhena asphodeloides root (0.00004 mg/1mL) + Lactic acid (0.75 mg/1mL) Liquid Topical Lucasns 2018-05-01 Not applicable US 
- Unapproved/Other Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image YOUNGCELLOGY AIOS LV Serum Caprylyl glycol (2.50 mg/1mL) + Anemarrhena asphodeloides root (0.00004 mg/1mL) + Lactic acid (0.75 mg/1mL) Liquid Topical Lucasns 2018-05-01 Not applicable US
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 00YIU5438U
- CAS number
- 1117-86-8
- InChI Key
- AEIJTFQOBWATKX-UHFFFAOYSA-N
- InChI
- InChI=1S/C8H18O2/c1-2-3-4-5-6-8(10)7-9/h8-10H,2-7H2,1H3
- IUPAC Name
- octane-1,2-diol
- SMILES
- CCCCCCC(O)CO
References
- General References
- Not Available
- External Links
- KEGG Compound
- C14273
- ChemSpider
- 13595
- 1363571
- ChEBI
- 34056
- ChEMBL
- CHEMBL3186864
Clinical Trials
- Clinical Trials
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Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Liquid Topical - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 18.2 mg/mL ALOGPS logP 1.66 ALOGPS logP 1.51 Chemaxon logS -0.91 ALOGPS pKa (Strongest Acidic) 14.27 Chemaxon pKa (Strongest Basic) -2.9 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 40.46 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 41.9 m3·mol-1 Chemaxon Polarizability 18.09 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes 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, Positive (Annotated) Predicted LC-MS/MS splash10-06y6-9200000000-533e739ccb09c5a8b78b Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-002b-1900000000-450cdf8cf0bcd5f9f128 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-052f-9000000000-0d0b6b2569eeddcb5887 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0002-8900000000-211221c5713fd8bee243 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-052f-9000000000-9a7b7ba34af27ed347d2 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4l-9000000000-24ecd7356d480d6f7a27 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]- 136.3624 predictedDeepCCS 1.0 (2019) [M+H]+ 139.33519 predictedDeepCCS 1.0 (2019) [M+Na]+ 148.18271 predictedDeepCCS 1.0 (2019)
Drug created at August 19, 2018 21:09 / Updated at June 12, 2020 16:53