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
Thumb
Weight
Average: 422.826
Monoisotopic: 422.485151996
Chemical Formula
C30H62
Synonyms
  • Hexamethyltetracosane

Pharmacology

Indication

Not Available

Pharmacology
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Contraindications & Blackbox Warnings
Contraindications
Avoid life-threatening adverse drug events
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Avoid life-threatening adverse drug events & improve clinical decision support.
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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
Adverseeffects
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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

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Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
WELLAGE Deep Layer Silky Facial OilSqualane (6 g/100mL) + Argan oil (15 g/100mL) + Meadowfoam seed oil (6 g/100mL) + Simmondsia chinensis seed (35.1995 g/100mL)OilTopicalHugel Pharma Co.,Ltd.2016-05-01Not applicableUS flag
Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
WELLAGE Deep Layer Silky Facial OilSqualane (6 g/100mL) + Argan oil (15 g/100mL) + Meadowfoam seed oil (6 g/100mL) + Simmondsia chinensis seed (35.1995 g/100mL)OilTopicalHugel Pharma Co.,Ltd.2016-05-01Not applicableUS flag

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
  1. 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]
  2. 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]
  3. 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]
  4. 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]
  5. 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]
  6. 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]
  7. 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]
  8. 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]
  9. 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]
  10. 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]
KEGG Drug
D05915
ChemSpider
7798
RxNav
1363644
ChEMBL
CHEMBL1552157
Wikipedia
Squalane

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
OilTopical
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility3.74e-06 mg/mLALOGPS
logP10.43ALOGPS
logP12.86ChemAxon
logS-8ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 Å2ChemAxon
Rotatable Bond Count21ChemAxon
Refractivity139.52 m3·mol-1ChemAxon
Polarizability60.29 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, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Drug created at February 25, 2016 18:37 / Updated at June 12, 2020 16:53