Fepradinol hydrochlorideProduct ingredient for Fepradinol
- Name
- Fepradinol hydrochloride
- Drug Entry
- Fepradinol
- Accession Number
- DBSALT003056
- Structure
Structure for Fepradinol hydrochloride (DBSALT003056)
- Synonyms
- Fepradinol HCl / Fepradinol hydrochloride
- External IDs
- EL-508
- UNII
- 47X845AK0J
- CAS Number
- 67704-50-1
- Weight
- Average: 245.75
Monoisotopic: 245.1182566 - Chemical Formula
- C12H20ClNO2
- InChI Key
- VJOOWJGUDMCBMI-UHFFFAOYSA-N
- InChI
- InChI=1S/C12H19NO2.ClH/c1-12(2,9-14)13-8-11(15)10-6-4-3-5-7-10;/h3-7,11,13-15H,8-9H2,1-2H3;1H
- IUPAC Name
- 2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropan-1-ol hydrochloride
- SMILES
- Cl[H].CC(C)(CO)NCC(O)C1=CC=CC=C1
- External Links
- ChemSpider
- 2313610
- Predicted Properties
Property Value Source Water Solubility 8.33 mg/mL ALOGPS logP 0.97 ALOGPS logP 0.91 Chemaxon logS -1.4 ALOGPS pKa (Strongest Acidic) 14.04 Chemaxon pKa (Strongest Basic) 9.12 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 52.49 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 60.62 m3·mol-1 Chemaxon Polarizability 23.75 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon