Hycanthone mesylateProduct ingredient for Hycanthone
- Name
- Hycanthone mesylate
- Drug Entry
- Hycanthone
Potentially toxic, but effective antischistosomal agent, it is a metabolite of LUCANTHONE. Hycanthone was approved by the FDA in 1975 but is no longer used.
- Accession Number
- DBSALT002713
- Structure
Structure for Hycanthone mesylate (DBSALT002713)
- Synonyms
- hycanthone methanesulfonate / hycanthone methanesulphonate / hycanthone monomesylate / hycanthone monomethanesulfonate / hycanthone monomethanesulphonate
- UNII
- 48830NW22A
- CAS Number
- 23255-93-8
- Weight
- Average: 452.58
Monoisotopic: 452.143964358 - Chemical Formula
- C21H28N2O5S2
- InChI Key
- LOEQGPPJCCUXEJ-UHFFFAOYSA-N
- InChI
- InChI=1S/C20H24N2O2S.CH4O3S/c1-3-22(4-2)12-11-21-16-10-9-14(13-23)20-18(16)19(24)15-7-5-6-8-17(15)25-20;1-5(2,3)4/h5-10,21,23H,3-4,11-13H2,1-2H3;1H3,(H,2,3,4)
- IUPAC Name
- 1-{[2-(diethylamino)ethyl]amino}-4-(hydroxymethyl)-9H-thioxanthen-9-one; methanesulfonic acid
- SMILES
- CS(O)(=O)=O.CCN(CC)CCNC1=CC=C(CO)C2=C1C(=O)C1=C(S2)C=CC=C1
- External Links
- KEGG Compound
- C19432
- ChemSpider
- 29457
- ChEBI
- 24624
- ChEMBL
- CHEMBL1983709
- Predicted Properties
Property Value Source Water Solubility 0.0168 mg/mL ALOGPS logP 3.87 ALOGPS logP 3.74 Chemaxon logS -4.3 ALOGPS pKa (Strongest Acidic) 14.79 Chemaxon pKa (Strongest Basic) 8.67 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 52.57 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 107.79 m3·mol-1 Chemaxon Polarizability 40.55 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