Pentamidine isethionateProduct ingredient for Pentamidine
- Name
- Pentamidine isethionate
- 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
- DBSALT000967
- Structure
Structure for Pentamidine isethionate (DBSALT000967)
- Synonyms
- pentamidine isetionate
- UNII
- V2P3K60DA2
- CAS Number
- 140-64-7
- Weight
- Average: 592.68
Monoisotopic: 592.187285723 - Chemical Formula
- C23H36N4O10S2
- InChI Key
- YBVNFKZSMZGRAD-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H24N4O2.2C2H6O4S/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*3-1-2-7(4,5)6/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23);2*3H,1-2H2,(H,4,5,6)
- IUPAC Name
- bis(2-hydroxyethane-1-sulfonic acid); 4-{[5-(4-carbamimidoylphenoxy)pentyl]oxy}benzene-1-carboximidamide
- SMILES
- OCCS(O)(=O)=O.OCCS(O)(=O)=O.NC(=N)C1=CC=C(OCCCCCOC2=CC=C(C=C2)C(N)=N)C=C1
- External Links
- ChemSpider
- 8482
- ChEBI
- 7977
- ChEMBL
- CHEMBL361506
- Wikipedia
- Pentamidine
- 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 14 Chemaxon Refractivity 120.53 m3·mol-1 Chemaxon Polarizability 39 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon