140-64-7
Product Name:
Pentamidine isethionate
Formula:
C23H36N4O10S2
Synonyms:
1,5-Bis(p-amidinophenoxy)pentane bis(2-hydroxyethanesulfonate salt);4,4′-(Pentamethylenedioxy)dibenzamidine bis(2-hydroxyethanesulfonate);Pentamidine isethionate salt
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Pentamidine isethionate appears as odorless white or almost white crystals or powder. Odor also reported as a slight butyric odor. Very bitter taste. pH (5% aqueous solution) 4.5-6.5. (NTP, 1992) |
|---|---|
| Melting Point | 370 to 378 °F (NTP, 1992) |
| Solubility | greater than or equal to 100 mg/mL at 66 °F (NTP, 1992) |
| Stability/Shelf Life | Bulk: The compound was found to be stable in the bulk form when exposed to light at ambient or 60 ° C temperature for 90 days. Solution: Pentamidine isethionate was found to be stable as a solution in normal saline at room temperature over a 72 hour period. |
| Collision Cross Section | 174.5 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Chemical Classes | Other Uses -> Pharmaceuticals |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H317:Sensitisation, Skin H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 592.7 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 8 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 14 |
| Exact Mass | 592.18728571 g/mol |
| Monoisotopic Mass | 592.18728571 g/mol |
| Topological Polar Surface Area | 284 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 493 |
| 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 | 3 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Pentamidine isethionate appears as odorless white or almost white crystals or powder. Odor also reported as a slight butyric odor. Very bitter taste. pH (5% aqueous solution) 4.5-6.5. (NTP, 1992)