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Parbendazol
(4-butyl-1h-benzimidazol-2-yl)-carbamicacidmethylester · pbdz · verminum · skf29044 · helmatac · PARBENDAZOLE · Parbendazole (200 mg) · Parbendazole (1498706)
Identifikatoren & physikalische Daten
| CAS No. | 14255-87-9 |
|---|---|
| Summenformel | C13H17N3O2 |
| Durchschnittliche Molmasse | 247,29 g/mol |
| Monoisotopische Masse | 247,13207679 g/mol |
| SMILES | CCCCc1ccc2nc(NC(=O)OC)[nH]c2c1 |
| InChIKey | YRWLZFXJFBZBEY-UHFFFAOYSA-N |
| PubChem CID | 26596 |
| ChEMBL | CHEMBL528271 |
| ChEBI | CHEBI:94267 |
| EC No. | 238-133-3 |
| DTXSID | DTXSID0045410 |
| Lokaler Name | Parbendazol |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 67 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 285 |
| Löslichkeit | less than 1 mg/mL at 64 °F (NTP, 1992)DMSO (Slightly, Heated), Methanol (Slightly, Heated)<0.1 g/100 mL at 18 ºC |
| Schmelzpunkt | 491 to 495 °F (decomposes) (NTP, 1992)255-257°C |
| Physical Description | Crystals or fine white powder. (NTP, 1992) |
| Collision Cross Section | 175.7 Ų [M+Na]+ [CCS Type: TWMethod: calibrated with Waters Major Mix] |
| Siedepunkt | 390.33°C (rough estimate) |
| Dichte | 1.1214 (rough estimate) |
| Brechungsindex | 1.5700 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,2-8°C |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 11.66±0.10(Predicted) |
| Farbe | White to Off-White |
| Stabilität | Stable. Incompatible with strong oxidizing agents. |
| InChI | InChI=1S/C13H17N3O2/c1-3-4-5-9-6-7-10-11(8-9)15-12(14-10)16-13(17)18-2/h6-8H,3-5H2,1-2H3,(H2,14,15,16,17) |
| InChIKey | YRWLZFXJFBZBEY-UHFFFAOYSA-N |
| SMILES | C(OC)(=O)NC1NC2=CC(CCCC)=CC=C2N=1 |
| EPA chemische Informationen | Parbendazole (14255-87-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Weitere Sicherheitsinformationen | IMAP assessments - Carbamic acid, (5-butyl-1H-benzimidazol-2-yl)-, methyl ester: Environment tier I assessment |
| Brandgefahren | Flash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992) |
| Gesundheitsgefahren | ACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes. (NTP, 1992) |
| Reaktive Gruppe | Amines, Phosphines, and Pyridines |
| Reactivity Profile | PARBENDAZOLE is a carbamate ester-amine. Amines behave as chemical bases. Carbamates are chemically similar to, but more reactive than amides. Like amides they form polymers such as polyurethane resins. Carbamates are incompatible with strong acids and bases, and especially incompatible with strong reducing agents such as hydrides. Flammable gaseous hydrogen is produced by the combination of active metals or nitrides with carbamates. Strongly oxidizing acids, peroxides, and hydroperoxides are incompatible with carbamates. |
| Air and Water Reactions | Insoluble in water. |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Brandbekämpfung | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| Erste Hilfe | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
Anwendungen & Verwendung
Verwenden
Parbendazole is a benzimidazole carbamate and a potent inhibitor of microtubule assembly and functions.