Facinicline hydrochlorideProduct ingredient for Facinicline
- Name
- Facinicline hydrochloride
- Drug Entry
- Facinicline
- Accession Number
- DBSALT002602
- Structure
Structure for Facinicline hydrochloride (DBSALT002602)
- Synonyms
- Facinicline HCl
- External IDs
- MEM 3454 / MEM-3454 / RG-3487 / RG3487
- UNII
- O6J463N18M
- CAS Number
- 677305-02-1
- Weight
- Average: 306.79
Monoisotopic: 306.1247389 - Chemical Formula
- C15H19ClN4O
- InChI Key
- CMRLNEYJEPELSM-BTQNPOSSSA-N
- InChI
- InChI=1S/C15H18N4O.ClH/c20-15(14-11-3-1-2-4-12(11)17-18-14)16-13-9-19-7-5-10(13)6-8-19;/h1-4,10,13H,5-9H2,(H,16,20)(H,17,18);1H/t13-;/m1./s1
- IUPAC Name
- N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1H-indazole-3-carboxamide hydrochloride
- SMILES
- Cl[H].[H]N([C@@H]1CN2CCC1CC2)C(=O)C1=NN([H])C2=CC=CC=C12
- External Links
- ChemSpider
- 8555915
- Predicted Properties
Property Value Source Water Solubility 0.107 mg/mL ALOGPS logP 1.26 ALOGPS logP 1.13 Chemaxon logS -3.4 ALOGPS pKa (Strongest Acidic) 9.97 Chemaxon pKa (Strongest Basic) 7.85 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 61.02 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 77.65 m3·mol-1 Chemaxon Polarizability 29.07 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon