NAV

Ceramide NG

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

Identification

Generic Name
Ceramide NG
DrugBank Accession Number
DB14706
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Similar Structures
Weight
Average: 567.9697
Monoisotopic: 567.559045207
Chemical Formula
C36H73NO3
Synonyms
  • 1-stearoyl-C18-sphingosine
  • Ceramide 2
  • Ceramide 2 pure
  • Ceramide II
  • Ceramide NS
  • N-(octadecanoyl)-dihydroceramide
  • N-(octadecanoyl)-sphinganine
  • N-(octodecanoyl)-sphinganine
  • N-(stearoyl)-dihydroceramide
  • N-octodecanoyldihydroceramide
  • N-octodecanoyldihydrosphingosine
  • N-octodecanoylsphinganine
  • N-stearoyldihydroceramide
  • N-stearoyldihydrosphingosine
  • N-stearoylsphinganine
  • palmitoyl-c16-dihydrosphingosine
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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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Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
5% Oat Facial CleanserCeramide NG (1 mg/236mL) + Colloidal oatmeal (50 mg/236mL) + Glycerin (50 mg/236mL)LiquidTopicalVolans Epic LLC2023-04-06Not applicableUS flag

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
8AD8CNQ956
CAS number
2304-80-5
InChI Key
KZTJQXAANJHSCE-OIDHKYIRSA-N
InChI
InChI=1S/C36H73NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h34-35,38-39H,3-33H2,1-2H3,(H,37,40)/t34-,35+/m0/s1
IUPAC Name
N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]octadecanamide
SMILES
CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC

References

General References
Not Available
Human Metabolome Database
HMDB0011761
ChemSpider
4446686
RxNav
1426448
ChEBI
67033
ZINC
ZINC000040165427

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

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

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility3.66e-05 mg/mLALOGPS
logP9.71ALOGPS
logP11.96Chemaxon
logS-7.2ALOGPS
pKa (Strongest Acidic)13.83Chemaxon
pKa (Strongest Basic)-1Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area69.56 Å2Chemaxon
Rotatable Bond Count33Chemaxon
Refractivity174.02 m3·mol-1Chemaxon
Polarizability77.97 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/MSsplash10-0udi-2010090000-3a5eb6fb0073c85dc5b2
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0000090000-584b69f065dd2f9f3b98
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f89-7431090000-1cd93117bdc992da8cc2
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0051090000-a416172cb0a2f91e7c27
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-01qc-9350000000-7fb4e4ef88f13ca4b63e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-066r-2096000000-4ae250667f035259d9d3
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-327.3669182
predicted
DarkChem Lite v0.1.0
[M-H]-327.6826182
predicted
DarkChem Lite v0.1.0
[M-H]-244.5847
predicted
DeepCCS 1.0 (2019)
[M+H]+326.2589182
predicted
DarkChem Lite v0.1.0
[M+H]+324.8319182
predicted
DarkChem Lite v0.1.0
[M+H]+246.9427
predicted
DeepCCS 1.0 (2019)
[M+Na]+325.1817182
predicted
DarkChem Lite v0.1.0
[M+Na]+325.9310182
predicted
DarkChem Lite v0.1.0
[M+Na]+253.61961
predicted
DeepCCS 1.0 (2019)

Drug created at September 25, 2018 15:00 / Updated at June 12, 2020 16:53