CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | Crystallizes as colorless plates from water |
| Melting Point | 186 °C (decomposes) |
| Solubility | Complete |
| LogP | 4 |
| Stability/Shelf Life | After reconstitution with sterile water, the Pentam solution is stable for 48 hours in the original vial at room temperature if protected from light. |
| Other Experimental Properties | Fine needles from dil hydrochloric acid, mp 232-234 °C /Dihydrochloride/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 340.4 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 10 |
| Exact Mass | 340.18992602 g/mol |
| Monoisotopic Mass | 340.18992602 g/mol |
| Topological Polar Surface Area | 118 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 376 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Pentamidine is a diether consisting of pentane-1,5-diol in which both hydroxyl hydrogens have been replaced by 4-amidinophenyl groups. A trypanocidal drug that is used for treatment of cutaneous leishmaniasis and Chagas disease. It has a role as a trypanocidal drug, an antifungal agent, a NMDA receptor antagonist, an anti-inflammatory agent, a chemokine receptor 5 antagonist, an EC 2.3.1.48 (histone acetyltransferase) inhibitor, a calmodulin antagonist, a S100 calcium-binding protein B inhibitor and a xenobiotic. It is a carboxamidine, a diether and an aromatic ether. It is a conjugate base of a pentamidinium(2+).