This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- 1,2-Hexanediol
- DrugBank Accession Number
- DB14108
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for 1,2-Hexanediol (DB14108)
- Weight
- Average: 118.176
Monoisotopic: 118.099379691 - Chemical Formula
- C6H14O2
- Synonyms
- 1,2-Dihydroxyhexane
- 5,6-Dihydroxyhexane
- DL-1,2-Hexanediol
- DL-Hexane-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.- Over the Counter Products
Name Dosage Strength Route Labeller Marketing Start Marketing End Region Image Dr.G AQUASIS WATER VITAL SLEEPING MASK Cream 1 g/100mL Topical GOWOONSESANG COSMETICS CO., LTD. 2015-07-05 2017-09-30 US 
- Mixture Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image Varecell Intensive Liposome Serum 1,2-Hexanediol (3 g/100mL) + Centella asiatica (0.1 g/100mL) + Tremella fuciformis whole (0.2 g/100mL) Liquid Topical D&S Cosmedique Co.Ltd 2021-09-02 Not applicable US - Unapproved/Other Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image Dr.G AQUASIS WATER VITAL SLEEPING MASK 1,2-Hexanediol (1 g/100mL) Cream Topical GOWOONSESANG COSMETICS CO., LTD. 2015-07-05 2017-09-30 US Varecell Intensive Liposome Serum 1,2-Hexanediol (3 g/100mL) + Centella asiatica (0.1 g/100mL) + Tremella fuciformis whole (0.2 g/100mL) Liquid Topical D&S Cosmedique Co.Ltd 2021-09-02 Not applicable 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
- Secondary alcohols / 1,2-diols / Primary alcohols / Hydrocarbon derivatives
- Substituents
- 1,2-diol / Alcohol / Aliphatic acyclic compound / Fatty alcohol / Hydrocarbon derivative / Organic oxygen compound / Organooxygen compound / Primary alcohol / Secondary alcohol
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- TR046Y3K1G
- CAS number
- 6920-22-5
- InChI Key
- FHKSXSQHXQEMOK-UHFFFAOYSA-N
- InChI
- InChI=1S/C6H14O2/c1-2-3-4-6(8)5-7/h6-8H,2-5H2,1H3
- IUPAC Name
- hexane-1,2-diol
- SMILES
- CCCCC(O)CO
References
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Cream Topical 1 g/100mL Liquid Topical - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 178.0 mg/mL ALOGPS logP 0.41 ALOGPS logP 0.62 Chemaxon logS 0.18 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 4 Chemaxon Refractivity 32.7 m3·mol-1 Chemaxon Polarizability 14.02 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 splash10-053r-9100000000-b87c2033fdfe3e303752 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-014r-9800000000-923c6354b7112397358c Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-052r-9000000000-75aa91c63008ea707cfc Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-052f-9000000000-ce89ab26beecef11585d Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-052f-9000000000-c34d605365a396b8ec44 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-9000000000-4a82dfa9f8ba20db4484 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]- 129.6355 predictedDeepCCS 1.0 (2019) [M+H]+ 132.0537 predictedDeepCCS 1.0 (2019) [M+Na]+ 140.41997 predictedDeepCCS 1.0 (2019)
Drug created at June 21, 2018 16:54 / Updated at June 12, 2020 16:53