NAV

Stearyl alcohol

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Stearyl alcohol
DrugBank Accession Number
DB15953
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Similar Structures
Weight
Average: 270.501
Monoisotopic: 270.292265844
Chemical Formula
C18H38O
Synonyms
  • 1-Octadecanol
  • Octadecan-1-ol
  • Octadecyl alcohol
  • Stearyl alcohol
External IDs
  • 204-017-6
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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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

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
2KR89I4H1Y
CAS number
112-92-5
InChI Key
GLDOVTGHNKAZLK-UHFFFAOYSA-N
InChI
InChI=1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3
IUPAC Name
octadecan-1-ol
SMILES
CCCCCCCCCCCCCCCCCCO

References

General References
Not Available
Human Metabolome Database
HMDB0002350
ChemSpider
7928
RxNav
37071
ChEBI
32154
ChEMBL
CHEMBL24640
ZINC
ZINC000008214679
Wikipedia
Stearyl_alcohol

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

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

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility5.22e-05 mg/mLALOGPS
logP8.27ALOGPS
logP7.03Chemaxon
logS-6.7ALOGPS
pKa (Strongest Acidic)16.84Chemaxon
pKa (Strongest Basic)-2Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area20.23 Å2Chemaxon
Rotatable Bond Count16Chemaxon
Refractivity86.55 m3·mol-1Chemaxon
Polarizability38.65 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/MSsplash10-00di-5290000000-95093740dafede0ecfb2
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0090000000-60df3dad2b02925a70ee
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0abc-9110000000-d1cebcf2249821d426bd
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0090000000-7301ac35c1e32ca0a6fd
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0n2d-4890000000-03b3b77ce408daf77ac5
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-052f-9000000000-b73adcfd226258574c97
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-203.2626716
predicted
DarkChem Lite v0.1.0
[M-H]-202.6977716
predicted
DarkChem Lite v0.1.0
[M-H]-202.7209716
predicted
DarkChem Lite v0.1.0
[M-H]-167.75981
predicted
DeepCCS 1.0 (2019)
[M+H]+203.2216716
predicted
DarkChem Lite v0.1.0
[M+H]+203.7957716
predicted
DarkChem Lite v0.1.0
[M+H]+203.5545716
predicted
DarkChem Lite v0.1.0
[M+H]+171.77946
predicted
DeepCCS 1.0 (2019)
[M+Na]+203.2268716
predicted
DarkChem Lite v0.1.0
[M+Na]+203.2327716
predicted
DarkChem Lite v0.1.0
[M+Na]+181.14107
predicted
DeepCCS 1.0 (2019)

Drug created at November 26, 2020 20:23 / Updated at February 21, 2021 18:55