NAV

Cetyl palmitate

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

Identification

Generic Name
Cetyl palmitate
DrugBank Accession Number
DB15782
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Similar Structures
Weight
Average: 480.862
Monoisotopic: 480.490631301
Chemical Formula
C32H64O2
Synonyms
  • Hexadecanoic acid, hexadecyl ester
  • Hexadecyl palmitate
  • n-Hexadecyl hexadecanoate
  • Palmityl palmitate
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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

Products

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Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
5ZA2S6B08X
CAS number
540-10-3
InChI Key
PXDJXZJSCPSGGI-UHFFFAOYSA-N
InChI
InChI=1S/C32H64O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-32(33)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3
IUPAC Name
hexadecyl hexadecanoate
SMILES
CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC

References

General References
Not Available
KEGG Compound
C13821
ChemSpider
10427
RxNav
1311485
ChEBI
75584
ChEMBL
CHEMBL2106073
ZINC
ZINC000008437455
Wikipedia
Cetyl_palmitate

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

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

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility1.1e-05 mg/mLALOGPS
logP10.78ALOGPS
logP13.06Chemaxon
logS-7.6ALOGPS
pKa (Strongest Basic)-7Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area26.3 Å2Chemaxon
Rotatable Bond Count30Chemaxon
Refractivity150.94 m3·mol-1Chemaxon
Polarizability68.6 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/MSsplash10-0540-9241500000-3935b692795d0bee6e81
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0030900000-2bedc7b48c4f33993fa7
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-056r-0090600000-d47dd0951e85cd3d8879
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-08fv-9311200000-bc91aff46ea1d15e3835
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-052r-3191000000-e3a0630fb87f97a336ae
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-052f-9200000000-a1b32eb3fb432c544a2c
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]-285.847764
predicted
DarkChem Lite v0.1.0
[M-H]-285.919864
predicted
DarkChem Lite v0.1.0
[M-H]-223.21999
predicted
DeepCCS 1.0 (2019)
[M+H]+285.580764
predicted
DarkChem Lite v0.1.0
[M+H]+284.030864
predicted
DarkChem Lite v0.1.0
[M+H]+225.7703
predicted
DeepCCS 1.0 (2019)
[M+Na]+285.051764
predicted
DarkChem Lite v0.1.0
[M+Na]+285.263064
predicted
DarkChem Lite v0.1.0
[M+Na]+232.1132
predicted
DeepCCS 1.0 (2019)

Drug created at August 21, 2020 17:15 / Updated at August 21, 2020 19:35