Pentamidine mesylateProduct ingredient for Pentamidine
- Name
- Pentamidine mesylate
- Drug Entry
- Pentamidine
Antiprotozoal agent effective in trypanosomiasis, leishmaniasis, and some fungal infections; used in treatment of pneumocystis pneumonia in HIV-infected patients. It may cause diabetes mellitus, central nervous system damage, and other toxic effects.
- Accession Number
- DBSALT002232
- Structure
Structure for Pentamidine mesylate (DBSALT002232)
- Synonyms
- Not Available
- UNII
- 863QBB4D0A
- CAS Number
- 6823-79-6
- Weight
- Average: 532.63
Monoisotopic: 532.166156354 - Chemical Formula
- C21H32N4O8S2
- InChI Key
- WRXSODAXJSKMAW-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H24N4O2.2CH4O3S/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23;2*1-5(2,3)4/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23);2*1H3,(H,2,3,4)
- IUPAC Name
- 4-{[5-(4-carbamimidoylphenoxy)pentyl]oxy}benzene-1-carboximidamide; bis(methanesulfonic acid)
- SMILES
- CS(O)(=O)=O.CS(O)(=O)=O.NC(=N)C1=CC=C(OCCCCCOC2=CC=C(C=C2)C(N)=N)C=C1
- External Links
- ChemSpider
- 65167
- Predicted Properties
Property Value Source Water Solubility 0.0236 mg/mL ALOGPS logP 1.32 ALOGPS logP 2.32 Chemaxon logS -4.2 ALOGPS pKa (Strongest Basic) 12.13 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 118.2 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 120.53 m3·mol-1 Chemaxon Polarizability 38.95 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