Dodecyl creatine ester
Star0
Identification
- Generic Name
- Dodecyl creatine ester
- DrugBank Accession Number
- DB18049
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 299.459
Monoisotopic: 299.257277315 - Chemical Formula
- C16H33N3O2
- Synonyms
- Glycine, n-(aminoiminomethyl)-n-methyl-, dodecyl ester
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
Categories
- Drug Categories
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Z7DW5UW9UD
- CAS number
- 1442645-21-7
- InChI Key
- AEKJLAYKIYFBGU-UHFFFAOYSA-N
- InChI
- InChI=1S/C16H33N3O2/c1-3-4-5-6-7-8-9-10-11-12-13-21-15(20)14-19(2)16(17)18/h3-14H2,1-2H3,(H3,17,18)
- IUPAC Name
- dodecyl 2-(N-methylcarbamimidamido)acetate
- SMILES
- CCCCCCCCCCCCOC(=O)CN(C)C(N)=N
References
- General References
- Not Available
- External Links
- ChemSpider
- 30815144
- ChEMBL
- CHEMBL2398530
- ZINC
- ZINC000096908713
Clinical Trials
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
Property Value Source logP 3.81 Chemaxon pKa (Strongest Acidic) 19.54 Chemaxon pKa (Strongest Basic) 11.27 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 79.41 Å2 Chemaxon Rotatable Bond Count 14 Chemaxon Refractivity 97.46 m3·mol-1 Chemaxon Polarizability 37.33 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
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at September 08, 2023 20:03 / Updated at September 12, 2023 18:33