Apilimod mesylateProduct ingredient for Apilimod
- Name
- Apilimod mesylate
- Drug Entry
- Apilimod
- Accession Number
- DBSALT003142
- Structure
Structure for Apilimod mesylate (DBSALT003142)
- Synonyms
- Apilimod bismesylate / Apilimod dimesilate / Apilimod dimesylate / Apilimod mesilate
- External IDs
- STA-5326 mesilate / STA-5326 mesylate
- UNII
- 5G3P5OK11S
- CAS Number
- 870087-36-8
- Weight
- Average: 610.7
Monoisotopic: 610.187954427 - Chemical Formula
- C25H34N6O8S2
- InChI Key
- GAJWNIKZLYZYSY-OKUPSQOASA-N
- InChI
- InChI=1S/C23H26N6O2.2CH4O3S/c1-18-5-4-6-19(15-18)17-25-28-21-16-22(29-10-13-30-14-11-29)27-23(26-21)31-12-8-20-7-2-3-9-24-20;2*1-5(2,3)4/h2-7,9,15-17H,8,10-14H2,1H3,(H,26,27,28);2*1H3,(H,2,3,4)/b25-17+;;
- IUPAC Name
- 4-{6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazin-1-yl]-2-[2-(pyridin-2-yl)ethoxy]pyrimidin-4-yl}morpholine; bis(methanesulfonic acid)
- SMILES
- CS(O)(=O)=O.CS(O)(=O)=O.CC1=CC=CC(\C=N\NC2=NC(OCCC3=NC=CC=C3)=NC(=C2)N2CCOCC2)=C1
- External Links
- ChemSpider
- 9702116
- Predicted Properties
Property Value Source logP 4.82 Chemaxon pKa (Strongest Acidic) 14.42 Chemaxon pKa (Strongest Basic) 5.89 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 84.76 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 123.26 m3·mol-1 Chemaxon Polarizability 45.8 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon