HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Acetarsol
ACETARSOL · vagisept · svc · 190f · f190 · goyl · mexyl · amasan
Identifikatoren & physikalische Daten
| CAS No. | 97-44-9 |
|---|---|
| Summenformel | C8H10AsNO5 |
| Durchschnittliche Molmasse | 275,09 g/mol |
| Monoisotopische Masse | 274,977492 g/mol |
| SMILES | CC(=O)Nc1cc([As](=O)(O)O)ccc1O |
| InChIKey | ODFJOVXVLFUVNQ-UHFFFAOYSA-N |
| PubChem CID | 1985 |
| ChEMBL | CHEMBL1330792 |
| ChEBI | CHEBI:135135 |
| EC No. | 202-582-3 |
| DTXSID | DTXSID9045847 |
| Lokaler Name | Acetarsol |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 107 |
|---|---|
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 289 |
| Löslichkeit | Slightly soluble>41.3 [ug/mL] (The mean of the results at pH 7.4)DMSO (Slightly), Methanol (Slightly, Heated, Sonicated) |
| Schmelzpunkt | 225-227 ºC220.5°C |
| Collision Cross Section | 151.5 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]153.02 Ų [M+K]+ [CCS Type: TW |
| Siedepunkt | 72.17°C |
| Dichte | 1.0325 g/cm3(Temp: 15 °C) |
| Lagerbedingungen | Store at RT |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | pKa 3.73 (H2O t=26) (Uncertain)7.9 (Uncertain)9.3(H2O) (Uncertain) |
| Farbe | Crystalline material |
| Merck | 13,53 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH228 (36.1%): Flammable solid [Danger Flammable solids]P210, P240, P241, P261, P264, P270, P271, P273, P280, P301+P316, P304+P340, P316, P321, P330, P370+P378, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 61 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Restricted substance: Acetarsol |
| Weitere Sicherheitsinformationen | IMAP assessments - Arsonic acid, [3-(acetylamino)-4-hydroxyphenyl]-: Environment tier I assessment |
| Hazard Classes and Categories | Flam. Sol. 1 (36.1%) |
| Minimum Risk Level | Acute Oral: 0.005 mg/kg/day (L134) Chronic Oral: 0.0003 mg/kg/day (L134) Chronic Inhalation: 0.01 mg/m3 (L134) |
| Treatment | Arsenic poisoning can be treated by chelation therapy, using chelating agents such as dimercaprol, EDTA or DMSA. Charcoal tablets may also be used for less severe cases. In addition, maintaining a diet high in sulfur helps eliminate arsenic from the body. (L20) |
| Gesundheitliche Auswirkungen | Arsenic poisoning can lead to death from multi-system organ failure, probably from necrotic cell death, not apoptosis. Arsenic is also a known carcinogen, esepcially in skin, liver, bladder and lung cancers. (T1, L20) |
| Expositionspfade | Oral (L2)inhalation (L2)dermal (L2) |
| Toxizitätsübersicht | Arsenic and its metabolites disrupt ATP production through several mechanisms. At the level of the citric acid cycle, arsenic inhibits pyruvate dehydrogenase and by competing with phosphate it uncouples oxidative phosphorylation, thus inhibiting energy-linked reduction of NAD+, mitochondrial respiration, and ATP synthesis. Hydrogen peroxide production is also increased, which might form reactive oxygen species and oxidative stress. Arsenic's carginogenicity is influenced by the arsenical binding of tubulin, which results in aneuploidy, polyploidy and mitotic arrests. The binding of other arsenic protein targets may also cause altered DNA repair enzyme activity, altered DNA methylation patterns and cell proliferation. (T1, A17) |
Anwendungen & Verwendung
Verwenden
antiprotozoal; diethylamine salt as antiphilitic