Radafaxine HydrochlorideProduct ingredient for Radafaxine
- Name
- Radafaxine Hydrochloride
- Drug Entry
- Radafaxine
Radafaxine has been used in trials studying the treatment of Depressive Disorder, Major.
- Accession Number
- DBSALT002075
- Structure
Structure for Radafaxine Hydrochloride (DBSALT002075)
- Synonyms
- Not Available
- UNII
- SYD411HZ3S
- CAS Number
- 106083-71-0
- Weight
- Average: 292.2
Monoisotopic: 291.0792843 - Chemical Formula
- C13H19Cl2NO2
- InChI Key
- ORXTVTDGPVINDN-BTJVGWIPSA-N
- InChI
- InChI=1S/C13H18ClNO2.ClH/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;1H/t9-,13+;/m0./s1
- IUPAC Name
- (2S,3S)-2-(3-chlorophenyl)-3,5,5-trimethylmorpholin-2-ol hydrochloride
- SMILES
- Cl.C[C@@H]1NC(C)(C)CO[C@@]1(O)C1=CC=CC(Cl)=C1
- External Links
- ChemSpider
- 8014715
- ChEMBL
- CHEMBL2107365
- 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 26.7 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