Squalane
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Squalane
- DrugBank Accession Number
- DB11420
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental, Vet approved
- Structure
- Weight
- Average: 422.826
Monoisotopic: 422.485151996 - Chemical Formula
- C30H62
- Synonyms
- Hexamethyltetracosane
Pharmacology
- Indication
Not Available
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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
- 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 Black Castor Oil Squalane (12 mg/60mL) + Castor oil (12 mg/60mL) + Glycerin (12 mg/60mL) + Tocopherol (12 mg/60mL) Oil Cutaneous Shantou Youjia E-Commerce Co., Ltd. 2024-02-01 2024-12-31 US Cream Squalane (4.5 mg/30mg) + Arginine (6 mg/30mg) + Ascorbic acid (7.5 mg/30mg) + Hyaluronic acid (3 mg/30mg) + Olive oil (3 mg/30mg) Cream Cutaneous Shantou Youjia E-Commerce Co., Ltd. 2024-02-01 2024-12-31 US Cream Squalane (7.2 g/48g) + Glycerin (9.6 g/48g) + Titanium dioxide (12 g/48g) + Tocopherol (4.8 g/48g) Cream Cutaneous Shantou Youjia E-Commerce Co.,Ltd. 2024-02-01 2024-12-31 US Cream Squalane (3 mg/30mg) + Ascorbic acid (9 mg/30mg) + Cow milk (4.5 mg/30mg) + Glycerin (4.5 mg/30mg) + Sunflower oil (6 mg/30mg) Cream Cutaneous Shantou Youjia E-Commerce Co.,Ltd. 2024-02-01 2024-12-31 US Cream Squalane (4 g/20g) + Arbutin (2 g/20g) + Nicotinamide (6 g/20g) + Tocopherol (3 g/20g) Cream Cutaneous Shantou Youjia E-Commerce Co.,Ltd. 2024-02-01 2024-12-31 US - Unapproved/Other Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image WELLAGE Deep Layer Silky Facial Oil Squalane (6 g/100mL) + Argan oil (15 g/100mL) + Meadowfoam seed oil (6 g/100mL) + Simmondsia chinensis seed (35.1995 g/100mL) Oil Topical Hugel Pharma Co.,Ltd. 2016-05-01 Not applicable US
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
- Kingdom
- Organic compounds
- Super Class
- Lipids and lipid-like molecules
- Class
- Prenol lipids
- Sub Class
- Triterpenoids
- Direct Parent
- Triterpenoids
- Alternative Parents
- Branched alkanes
- Substituents
- Acyclic alkane / Aliphatic acyclic compound / Alkane / Branched alkane / Hydrocarbon / Saturated hydrocarbon / Triterpenoid
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- GW89575KF9
- CAS number
- 111-01-3
- InChI Key
- PRAKJMSDJKAYCZ-UHFFFAOYSA-N
- InChI
- InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3
- IUPAC Name
- 2,6,10,15,19,23-hexamethyltetracosane
- SMILES
- CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C
References
- General References
- Berekaa MM, Steinbuchel A: Microbial degradation of the multiply branched alkane 2,6,10,15,19, 23-hexamethyltetracosane (Squalane) by Mycobacterium fortuitum and Mycobacterium ratisbonense. Appl Environ Microbiol. 2000 Oct;66(10):4462-7. [Article]
- Yarkoni E, Rapp HJ: Tumor regression after intralesional injection of mycobacterial components emulsified in 2,6,10,15,19,23-hexamethyl-2,6,10,14,18,22-tetracosahexaene (squalene), 2,6,10,15,19,23-hexamethyltetracosane (squalane), peanut oil, or mineral oil. Cancer Res. 1979 May;39(5):1518-20. [Article]
- Yoshino S, Yoshino J: Recruitment of pathogenic T cells to synovial tissues of rats injected intraarticularly with nonspecific agents. Cell Immunol. 1994 Oct 15;158(2):305-13. [Article]
- Kowert BA, Watson MB: Diffusion of organic solutes in squalane. J Phys Chem B. 2011 Aug 18;115(32):9687-94. doi: 10.1021/jp202937x. Epub 2011 Jul 22. [Article]
- Kamimura H, Fuchigami K, Inoue H, Kodama R, Yoshimura H: [Studies on distribution and excretion of squalane in dogs administered for 2 weeks]. Fukuoka Igaku Zasshi. 1991 May;82(5):300-4. [Article]
- King KL, Paterson G, Rossi GE, Iljina M, Westacott RE, Costen ML, McKendrick KG: Inelastic scattering of OH radicals from organic liquids: isolating the thermal desorption channel. Phys Chem Chem Phys. 2013 Aug 21;15(31):12852-63. doi: 10.1039/c3cp51708j. [Article]
- Tascon M, Romero LM, Acquaviva A, Keunchkarian S, Castells C: Determinations of gas-liquid partition coefficients using capillary chromatographic columns. Alkanols in squalane. J Chromatogr A. 2013 Jun 14;1294:130-6. doi: 10.1016/j.chroma.2013.04.032. Epub 2013 Apr 18. [Article]
- Waring C, Bagot PA, Raisanen MT, Costen ML, McKendrick KG: Dynamics of the reaction of O(3P) atoms with alkylthiol self-assembled monolayers. J Phys Chem A. 2009 Apr 23;113(16):4320-9. doi: 10.1021/jp8109868. [Article]
- Waring C, King KL, Bagot PA, Costen ML, McKendrick KG: Collision dynamics and reactive uptake of OH radicals at liquid surfaces of atmospheric interest. Phys Chem Chem Phys. 2011 May 14;13(18):8457-69. doi: 10.1039/c0cp02734k. Epub 2011 Mar 16. [Article]
- Waring C, King KL, Costen ML, McKendrick KG: Dynamics of the gas-liquid interfacial reaction of O(1D) with a liquid hydrocarbon. J Phys Chem A. 2011 Jun 30;115(25):7210-9. doi: 10.1021/jp200292n. Epub 2011 Apr 7. [Article]
- External Links
- KEGG Drug
- D05915
- ChemSpider
- 7798
- 1363644
- ChEMBL
- CHEMBL1552157
- Wikipedia
- Squalane
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Oil Cutaneous Cream Cutaneous Spray Cutaneous Liquid Cutaneous Stick Cutaneous Oil Topical - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 3.74e-06 mg/mL ALOGPS logP 10.43 ALOGPS logP 12.86 Chemaxon logS -8 ALOGPS Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 0 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 0 Å2 Chemaxon Rotatable Bond Count 21 Chemaxon Refractivity 139.52 m3·mol-1 Chemaxon Polarizability 60.29 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, Positive (Annotated) Predicted LC-MS/MS splash10-00di-9134700000-9e600e59ce867b4b4c85 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-00di-0000900000-264c102acdddb1ece67a Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-00di-0000900000-447bb56681e6debb8ea3 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-059i-9021000000-c1d3a72dbd82e5fb3bc6 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-0218900000-a6ea3e721b66ff99dd97 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4i-9020000000-3ca514fe0a05262a5217 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]- 215.43391 predictedDeepCCS 1.0 (2019) [M+H]+ 217.98424 predictedDeepCCS 1.0 (2019) [M+Na]+ 224.57896 predictedDeepCCS 1.0 (2019)
Drug created at February 25, 2016 18:37 / Updated at June 12, 2020 16:53