Radafaxine
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Radafaxine
- DrugBank Accession Number
- DB11790
- Background
Radafaxine has been used in trials studying the treatment of Depressive Disorder, Major.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 255.74
Monoisotopic: 255.1026065 - Chemical Formula
- C13H18ClNO2
- Synonyms
- Radafaxine
Pharmacology
- Indication
Not Available
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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
- 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.
- Product Ingredients
Ingredient UNII CAS InChI Key Radafaxine Hydrochloride SYD411HZ3S 106083-71-0 ORXTVTDGPVINDN-BTJVGWIPSA-N
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Oxazinanes
- Sub Class
- Morpholines
- Direct Parent
- Phenylmorpholines
- Alternative Parents
- Chlorobenzenes / Aralkylamines / Aryl chlorides / Hemiacetals / Oxacyclic compounds / Dialkylamines / Azacyclic compounds / Organopnictogen compounds / Organochlorides / Hydrocarbon derivatives
- Substituents
- Amine / Aralkylamine / Aromatic heteromonocyclic compound / Aryl chloride / Aryl halide / Azacycle / Benzenoid / Chlorobenzene / Halobenzene / Hemiacetal
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Q47741214K
- CAS number
- 192374-14-4
- InChI Key
- RCOBKSKAZMVBHT-TVQRCGJNSA-N
- InChI
- InChI=1S/C13H18ClNO2/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3/t9-,13+/m0/s1
- IUPAC Name
- (2S,3S)-2-(3-chlorophenyl)-3,5,5-trimethylmorpholin-2-ol
- SMILES
- C[C@@H]1NC(C)(C)CO[C@@]1(O)C1=CC=CC(Cl)=C1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 9795056
- PubChem Substance
- 347828139
- ChemSpider
- 7970823
- BindingDB
- 50322532
- ChEMBL
- CHEMBL1172928
- ZINC
- ZINC000005377133
- Wikipedia
- Radafaxine
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Major Depressive Disorder (MDD) 3
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 Water Solubility 1.54 mg/mL ALOGPS logP 2.23 ALOGPS logP 2.9 Chemaxon logS -2.2 ALOGPS pKa (Strongest Acidic) 10.75 Chemaxon pKa (Strongest Basic) 7.61 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 41.49 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 67.8 m3·mol-1 Chemaxon Polarizability 26.67 Å3 Chemaxon Number of Rings 2 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]- 161.3066 predictedDeepCCS 1.0 (2019) [M-H]- 161.3066 predictedDeepCCS 1.0 (2019) [M+H]+ 163.70216 predictedDeepCCS 1.0 (2019) [M+H]+ 163.70216 predictedDeepCCS 1.0 (2019) [M+Na]+ 169.65721 predictedDeepCCS 1.0 (2019) [M+Na]+ 169.65721 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 20:48 / Updated at February 21, 2021 18:53