Lucanthone hydrochlorideProduct ingredient for Lucanthone
- Name
- Lucanthone hydrochloride
- Drug Entry
- Lucanthone
One of the schistosomicides, it has been replaced largely by hycanthone and more recently praziquantel. (From Martindale The Extrapharmacopoeia, 30th ed., p46). It is currently being tested as a radiation sensitizer.
- Accession Number
- DBSALT000826
- Structure
Structure for Lucanthone hydrochloride (DBSALT000826)
- Synonyms
- Lucanthone HCl
- UNII
- 918K9N56QZ
- CAS Number
- 548-57-2
- Weight
- Average: 376.94
Monoisotopic: 376.1376123 - Chemical Formula
- C20H25ClN2OS
- InChI Key
- LAOOXBLMIJHMFO-UHFFFAOYSA-N
- InChI
- InChI=1S/C20H24N2OS.ClH/c1-4-22(5-2)13-12-21-16-11-10-14(3)20-18(16)19(23)15-8-6-7-9-17(15)24-20;/h6-11,21H,4-5,12-13H2,1-3H3;1H
- IUPAC Name
- 1-{[2-(diethylamino)ethyl]amino}-4-methyl-9H-thioxanthen-9-one hydrochloride
- SMILES
- Cl.CCN(CC)CCNC1=CC=C(C)C2=C1C(=O)C1=C(S2)C=CC=C1
- External Links
- Human Metabolome Database
- HMDB0015607
- KEGG Compound
- C11715
- PubChem Compound
- 10180
- ChemSpider
- 10585
- BindingDB
- 50030282
- ChEBI
- 51052
- ChEMBL
- CHEMBL2007389
- PharmGKB
- PA164748783
- Predicted Properties
Property Value Source Water Solubility 0.00315 mg/mL ALOGPS logP 4.72 ALOGPS logP 5.02 Chemaxon logS -5 ALOGPS pKa (Strongest Acidic) 18.84 Chemaxon pKa (Strongest Basic) 8.69 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 32.34 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 106.01 m3·mol-1 Chemaxon Polarizability 39.59 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule Yes Chemaxon