Phytosphingosine

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

Identification

Logo pink
Are you a
new drug developer?
Contact us to learn more about our customized products and solutions.
Name
Phytosphingosine
Accession Number
DB14119
Type
Small Molecule
Groups
Experimental
Description
Not Available
Structure
Thumb
Synonyms
  • (+)-D-ribo-phytosphingosine
  • 4-D-Hydroxysphinganine
  • 4-R-hydroxyoctadecasphinganine
  • C18-phytosphingosine
  • D-ribo-phytosphingosine
  • DS-phytosphingosine
External IDs
EC 439-210-6
Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing End
P1P AC Repair AmpoulePhytosphingosine (0.001 1/30mL) + Nicotinamide (0.02 1/30mL) + Salicylic acid (0.003 1/30mL)LiquidTopicalPhytos Co., Ltd.2016-01-07Not applicableUs
Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing End
P1P AC Repair AmpoulePhytosphingosine (0.001 1/30mL) + Nicotinamide (0.02 1/30mL) + Salicylic acid (0.003 1/30mL)LiquidTopicalPhytos Co., Ltd.2016-01-07Not applicableUs
International/Other Brands
Biomide PS / Cytomide PGS
Categories
UNII
GIN46U9Q2Q
CAS number
554-62-1
Weight
Average: 317.5072
Monoisotopic: 317.292994119
Chemical Formula
C18H39NO3
InChI Key
AERBNCYCJBRYDG-KSZLIROESA-N
InChI
InChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17+,18-/m0/s1
IUPAC Name
(2S,3S,4R)-2-aminooctadecane-1,3,4-triol
SMILES
CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Additional Data Available
Adverse Effects

Comprehensive structured data on known drug adverse effects with statistical prevalence. MedDRA and ICD10 ids are provided for adverse effect conditions and symptoms.

Learn more
Additional Data Available
Contraindications

Structured data covering drug contraindications. Each contraindication describes a scenario in which the drug is not to be used. Includes restrictions on co-administration, contraindicated populations, and more.

Learn more
Additional Data Available
Blackbox Warnings

Structured data representing warnings from the black box section of drug labels. These warnings cover important and dangerous risks, contraindications, or adverse effects.

Learn more
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
Toxicity
Not Available
Affected organisms
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

References

General References
Not Available
External Links
Human Metabolome Database
HMDB0004610
KEGG Compound
C12144
ChemSpider
108921
ChEBI
46961
ChEMBL
CHEMBL236036
Wikipedia
Phytosphingosine

Clinical Trials

Clinical Trials
Not Available

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 Solubility0.0446 mg/mLALOGPS
logP3.96ALOGPS
logP3.7ChemAxon
logS-3.8ALOGPS
pKa (Strongest Acidic)13.45ChemAxon
pKa (Strongest Basic)8.91ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area86.71 Å2ChemAxon
Rotatable Bond Count16ChemAxon
Refractivity92.29 m3·mol-1ChemAxon
Polarizability41.05 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-001i-1910000000-6a156f8b67eb8d2e2af8
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-0udi-0590000000-55f1259ff17447451d03
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

Taxonomy

Classification
Not classified

Drug created on June 23, 2018 10:52 / Updated on September 02, 2019 20:12