Artefenomel MesylateProduct ingredient for Artefenomel
- Name
- Artefenomel Mesylate
- Drug Entry
- Artefenomel
Artefenomel has been investigated for the treatment of Malaria.
- Accession Number
- DBSALT002081
- Structure
Structure for Artefenomel Mesylate (DBSALT002081)
- Synonyms
- cis-Adamantane-2-spiro-3'-8'-(4'-(2'-(4'-morpholinyl)ethoxy)phenyl)-1',2,'4'-trioxaspiro(4.5)decane mesylate / OZ-439 mesilate / OZ-439 mesylate / OZ439 mesylate
- UNII
- PXW0Q9H3IJ
- CAS Number
- 1029939-87-4
- Weight
- Average: 565.72
Monoisotopic: 565.270938523 - Chemical Formula
- C29H43NO8S
- InChI Key
- WQAWGRIICHFPFL-ULBNONRQSA-N
- InChI
- InChI=1S/C28H39NO5.CH4O3S/c1-3-26(31-14-11-29-9-12-30-13-10-29)4-2-22(1)23-5-7-27(8-6-23)32-28(34-33-27)24-16-20-15-21(18-24)19-25(28)17-20;1-5(2,3)4/h1-4,20-21,23-25H,5-19H2;1H3,(H,2,3,4)/t20?,21?,23-,24?,25?,27+,28?;
- IUPAC Name
- 4-(2-{4-[(4's,4''s)-dispiro[adamantane-2,2'-[1,3,5]trioxolane-4',1''-cyclohexane]-4''-yl]phenoxy}ethyl)morpholine; methanesulfonic acid
- SMILES
- CS(O)(=O)=O.C(CN1CCOCC1)OC1=CC=C(C=C1)[C@H]1CC[C@]2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
- External Links
- ChemSpider
- 52083296
- Predicted Properties
Property Value Source Water Solubility 0.000467 mg/mL ALOGPS logP 4.51 ALOGPS logP 5.44 Chemaxon logS -6 ALOGPS pKa (Strongest Basic) 6.71 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 49.39 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 128.51 m3·mol-1 Chemaxon Polarizability 52.79 Å3 Chemaxon Number of Rings 7 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon