Amodiaquine dihydrochloride dihydrateProduct ingredient for Amodiaquine
- Name
- Amodiaquine dihydrochloride dihydrate
- Drug Entry
- Amodiaquine
A 4-aminoquinoquinoline compound with anti-inflammatory properties.
- Accession Number
- DBSALT002457
- Structure
Structure for Amodiaquine dihydrochloride dihydrate (DBSALT002457)
- Synonyms
- Not Available
- UNII
- K6PW2S574L
- CAS Number
- 6398-98-7
- Weight
- Average: 464.81
Monoisotopic: 463.1196249 - Chemical Formula
- C20H28Cl3N3O3
- InChI Key
- YVNAYSHNIILOJS-UHFFFAOYSA-N
- InChI
- InChI=1S/C20H22ClN3O.2ClH.2H2O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19;;;;/h5-12,25H,3-4,13H2,1-2H3,(H,22,23);2*1H;2*1H2
- IUPAC Name
- 4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)methyl]phenol dihydrate dihydrochloride
- SMILES
- O.O.Cl.Cl.CCN(CC)CC1=CC(NC2=C3C=CC(Cl)=CC3=NC=C2)=CC=C1O
- External Links
- ChemSpider
- 58201
- ChEBI
- 50652
- ChEMBL
- CHEMBL1357648
- Predicted Properties
Property Value Source Water Solubility 0.0088 mg/mL ALOGPS logP 4.83 ALOGPS logP 3.87 Chemaxon logS -4.6 ALOGPS pKa (Strongest Acidic) 9.03 Chemaxon pKa (Strongest Basic) 10.04 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 48.39 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 103.29 m3·mol-1 Chemaxon Polarizability 39.4 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon