Clobenzorex hydrochlorideProduct ingredient for Clobenzorex
- Name
- Clobenzorex hydrochloride
- Drug Entry
- Clobenzorex
- Accession Number
- DBSALT002797
- Structure
Structure for Clobenzorex hydrochloride (DBSALT002797)
- Synonyms
- Clobenzorex HCl
- UNII
- BC6X5MB664
- CAS Number
- 5843-53-8
- Weight
- Average: 296.24
Monoisotopic: 295.089455 - Chemical Formula
- C16H19Cl2N
- InChI Key
- ASTCUURTJCZRSC-ZOWNYOTGSA-N
- InChI
- InChI=1S/C16H18ClN.ClH/c1-13(11-14-7-3-2-4-8-14)18-12-15-9-5-6-10-16(15)17;/h2-10,13,18H,11-12H2,1H3;1H/t13-;/m0./s1
- IUPAC Name
- [(2-chlorophenyl)methyl][(2S)-1-phenylpropan-2-yl]amine hydrochloride
- SMILES
- Cl.C[C@@H](CC1=CC=CC=C1)NCC1=CC=CC=C1Cl
- External Links
- ChemSpider
- 32699190
- Predicted Properties
Property Value Source Water Solubility 0.00105 mg/mL ALOGPS logP 4.27 ALOGPS logP 4.57 Chemaxon logS -5.4 ALOGPS pKa (Strongest Basic) 8.88 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 12.03 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 77.9 m3·mol-1 Chemaxon Polarizability 29.34 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon