Adiphenine hydrochlorideProduct ingredient for Adiphenine
- Name
- Adiphenine hydrochloride
- Drug Entry
- Adiphenine
- Accession Number
- DBSALT003180
- Structure
Structure for Adiphenine hydrochloride (DBSALT003180)
- Synonyms
- Adiphenine HCl
- UNII
- 42B4PDY0AV
- CAS Number
- 50-42-0
- Weight
- Average: 347.88
Monoisotopic: 347.1652068 - Chemical Formula
- C20H26ClNO2
- InChI Key
- LKPINBXAWIMZCG-UHFFFAOYSA-N
- InChI
- InChI=1S/C20H25NO2.ClH/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14,19H,3-4,15-16H2,1-2H3;1H
- IUPAC Name
- 2-(diethylamino)ethyl 2,2-diphenylacetate hydrochloride
- SMILES
- Cl.CCN(CC)CCOC(=O)C(C1=CC=CC=C1)C1=CC=CC=C1
- External Links
- ChemSpider
- 5560
- ChEMBL
- CHEMBL555654
- Predicted Properties
Property Value Source Water Solubility 0.0126 mg/mL ALOGPS logP 4.23 ALOGPS logP 4.17 Chemaxon logS -4.4 ALOGPS pKa (Strongest Basic) 8.96 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 29.54 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 94.32 m3·mol-1 Chemaxon Polarizability 36.4 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