Melarsomine dihydrochlorideProduct ingredient for Melarsomine
- Name
- Melarsomine dihydrochloride
- Drug Entry
- Melarsomine
Melarsomine is a trypanocidal agent marketed by Merial under the trade name Immiticide. It is the only FDA-approved treatment for adult heartworm infection in dogs, however, is is not approved for use in dogs with late-stage infection.
- Accession Number
- DBSALT001691
- Structure
Structure for Melarsomine dihydrochloride (DBSALT001691)
- Synonyms
- Melarsomine diHCl
- UNII
- 9CVA716Q71
- CAS Number
- 89141-50-4
- Weight
- Average: 501.32
Monoisotopic: 500.008011 - Chemical Formula
- C13H23AsCl2N8S2
- InChI Key
- WMZUMAJTJUZEKQ-UHFFFAOYSA-N
- InChI
- InChI=1S/C13H21AsN8S2.2ClH/c15-5-7-23-14(24-8-6-16)9-1-3-10(4-2-9)19-13-21-11(17)20-12(18)22-13;;/h1-4H,5-8,15-16H2,(H5,17,18,19,20,21,22);2*1H
- IUPAC Name
- N2-(4-{bis[(2-aminoethyl)sulfanyl]arsanyl}phenyl)-1,3,5-triazine-2,4,6-triamine dihydrochloride
- SMILES
- Cl.Cl.NCCS[As](SCCN)C1=CC=C(NC2=NC(N)=NC(N)=N2)C=C1
- External Links
- ChemSpider
- 110291
- ChEMBL
- CHEMBL3215666
- Predicted Properties
Property Value Source Water Solubility 0.185 mg/mL ALOGPS logP 1.51 ALOGPS logP 0.44 Chemaxon logS -3.4 ALOGPS pKa (Strongest Acidic) 12.77 Chemaxon pKa (Strongest Basic) 9.97 Chemaxon Physiological Charge 3 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 154.78 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 102.87 m3·mol-1 Chemaxon Polarizability 40.9 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon