This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Phytosphingosine
- DrugBank Accession Number
- DB14119
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Phytosphingosine (DB14119)
- Weight
- Average: 317.5072
Monoisotopic: 317.292994119 - Chemical Formula
- C18H39NO3
- Synonyms
- (+)-D-ribo-phytosphingosine
- 4-D-Hydroxysphinganine
- 4-R-hydroxyoctadecasphinganine
- C18-phytosphingosine
- D-ribo-phytosphingosine
- DS-phytosphingosine
- External IDs
- EC 439-210-6
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- 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
Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.- International/Other Brands
- Biomide PS / Cytomide PGS
- Mixture Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image P1P AC Repair Ampoule Phytosphingosine (0.001 1/30mL) + Nicotinamide (0.02 1/30mL) + Salicylic acid (0.003 1/30mL) Liquid Topical Phytos Co., Ltd. 2016-01-07 Not applicable US 
- Unapproved/Other Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image P1P AC Repair Ampoule Phytosphingosine (0.001 1/30mL) + Nicotinamide (0.02 1/30mL) + Salicylic acid (0.003 1/30mL) Liquid Topical Phytos Co., Ltd. 2016-01-07 Not applicable US
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- GIN46U9Q2Q
- CAS number
- 554-62-1
- 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
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0004610
- KEGG Compound
- C12144
- ChemSpider
- 108921
- 1363444
- ChEBI
- 46961
- ChEMBL
- CHEMBL236036
- ZINC
- ZINC000008437018
- Wikipedia
- Phytosphingosine
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Liquid Topical - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0446 mg/mL ALOGPS logP 3.96 ALOGPS logP 3.7 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 13.45 Chemaxon pKa (Strongest Basic) 8.91 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 86.71 Å2 Chemaxon Rotatable Bond Count 16 Chemaxon Refractivity 92.29 m3·mol-1 Chemaxon Polarizability 41.05 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 212.8580333 predictedDarkChem Lite v0.1.0 [M-H]- 215.3571333 predictedDarkChem Lite v0.1.0 [M-H]- 213.1937333 predictedDarkChem Lite v0.1.0 [M-H]- 188.97136 predictedDeepCCS 1.0 (2019) [M+H]+ 213.2514333 predictedDarkChem Lite v0.1.0 [M+H]+ 215.8489333 predictedDarkChem Lite v0.1.0 [M+H]+ 212.5967333 predictedDarkChem Lite v0.1.0 [M+H]+ 192.42374 predictedDeepCCS 1.0 (2019) [M+Na]+ 213.5013333 predictedDarkChem Lite v0.1.0 [M+Na]+ 215.2163333 predictedDarkChem Lite v0.1.0 [M+Na]+ 212.7487333 predictedDarkChem Lite v0.1.0 [M+Na]+ 200.77039 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2018 16:52 / Updated at June 12, 2020 16:53