HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Pentamidinisetionat
2512RP · PentaM · M&B-800 · RP-2512 · LoMidin · Benambax · Aeropent · BanaMbax
Identifikatoren & physikalische Daten
| CAS No. | 140-64-7 |
|---|---|
| Summenformel | C19H24N4O2.2C2H6O4S |
| Durchschnittliche Molmasse | 592,7 g/mol |
| Monoisotopische Masse | 592,18728571 g/mol |
| SMILES | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1.O=S(=O)(O)CCO.O=S(=O)(O)CCO |
| InChIKey | YBVNFKZSMZGRAD-UHFFFAOYSA-N |
| PubChem CID | 8813 |
| ChEMBL | CHEMBL361506 |
| ChEBI | CHEBI:7977 |
| EC No. | 205-424-1 |
| DTXSID | DTXSID5023796 |
| Lokaler Name | Pentamidinisetionat |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 284 |
|---|---|
| H-Brücken-Donoren | 8 |
| H-Brücken-Akzeptoren | 12 |
| Frei drehbare Bindungen | 14 |
| Schwere Atome | 39 |
| Formalladung | 0 |
| Komplexität | 493 |
| Stoffklassen | Other Uses -> Pharmaceuticals |
| Löslichkeit | greater than or equal to 100 mg/mL at 66 °F (NTP, 1992)Water > 30 (mg/mL)Acetate buffer, pH 4 ~2.5 (mg/mL)Carbonate buffer, pH 9 < 1 (mg/mL)0.1 N HCl ~2.5 (mg/mL)0.1 NaOH < 1 (mg/mL)Freely soluble in water, sparingly soluble in ethanol (96 per cent), practically insoluble in methylene chloride. |
| Human Drugs | FDA approved drugs -> Active ingredient |
| Schmelzpunkt | 370 to 378 °F (NTP, 1992)188-194 °C(lit.) |
| 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) |
| 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: TWMethod: calibrated with polyalanine and drug standards] |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | powder |
| Farbe | White to Off-White |
| Merck | 13,7192 |
| Stabilität | Hygroscopic |
| Hauptanwendungen | pharmaceutical (small molecule) |
| InChIKey | YBVNFKZSMZGRAD-UHFFFAOYSA-N |
| SMILES | C1(OCCCCCOC2=CC=C(C(=N)N)C=C2)C=CC(C(N)=N)=CC=1.C(CO)S(=O)(=O)O.C(CO)S(=O)(=O)O |
| CAS Datenbank | 140-64-7(CAS DataBase Reference) |
| EPA chemische Informationen | Ethanesulfonic acid, 2-hydroxy-, compd. with 4,4'-[1,5-pentanediylbis(oxy)]bis[benzenecarboximidamide] (2:1) (140-64-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 70 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Brandgefahren | Flash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992) |
| Gesundheitsgefahren | SYMPTOMS: Symptoms of exposure to this compound include fall in blood pressure, hypotension, hypoglycemia, dizziness, tachycardia, flushing, itching and an increase in blood urea. Other symptoms include pain and abscess formation at the site of injection, hyperglycemia, hematological disturbances, vomiting, liver and kidney dysfunction, dizziness, headache, breathlessness and fainting. It has caused local reactions and reversible uremia in an infant. It has also caused fever and profound fatal acidosis in a teen. It can cause hemorrhage and dermatitis via intramuscular routes. Other symptoms include cardiac arrhythmias, leukopenia, hypocalcemia, Stevens-Johnson syndrome, thrombocytopenia, confusion and hallucinations. Symptoms of exposure to a related compound include convulsions and liver and kidney damage. Other symptoms include pancreatitis. It may also cause diabetes mellitus. |
| Gefahrenübersicht | Immunological contact urticaria documented in pharmaceutical and healthcare workers[Kanerva, p. 219] |
| Reaktive Gruppe | Alcohols and Polyols |
| Reactivity Profile | Can decompose on prolonged exposure to light. |
| Air and Water Reactions | Hygroscopic. May be sensitive to prolonged exposure to air. Aqueous solutions deteriorate on storage. Water soluble. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Brandbekämpfung | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
Anwendungen & Verwendung
Verwenden
Pentamidine isethionate salt has been used:as a positive control for anti-leishmanial, anti-plasmodial and cytotoxic assaysas a prototypical compound to analyse the inhibitor effect on human ether-a-go-go-related gene (HERG) K+ channel traffickingas an anti-leishmanial agent in promastigotes