Xaliproden HydrochlorideProduct ingredient for Xaliproden
- Name
- Xaliproden Hydrochloride
- Drug Entry
- Xaliproden
- Accession Number
- DBSALT002009
- Structure
Structure for Xaliproden Hydrochloride (DBSALT002009)
- Synonyms
- Not Available
- UNII
- 44D5EE8E26
- CAS Number
- 90494-79-4
- Weight
- Average: 417.9
Monoisotopic: 417.1471119 - Chemical Formula
- C24H23ClF3N
- InChI Key
- WVHBEIJGAINUBW-UHFFFAOYSA-N
- InChI
- InChI=1S/C24H22F3N.ClH/c25-24(26,27)23-7-3-6-22(17-23)20-11-14-28(15-12-20)13-10-18-8-9-19-4-1-2-5-21(19)16-18;/h1-9,11,16-17H,10,12-15H2;1H
- IUPAC Name
- 1-[2-(naphthalen-2-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine hydrochloride
- SMILES
- Cl.FC(F)(F)C1=CC=CC(=C1)C1=CCN(CCC2=CC3=CC=CC=C3C=C2)CC1
- External Links
- ChemSpider
- 114236
- ChEBI
- 32302
- ChEMBL
- CHEMBL3183486
- Predicted Properties
Property Value Source Water Solubility 0.000229 mg/mL ALOGPS logP 6.26 ALOGPS logP 6.23 Chemaxon logS -6.2 ALOGPS pKa (Strongest Basic) 8.96 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 3.24 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 109.26 m3·mol-1 Chemaxon Polarizability 41.17 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon