N-Ethyl-N-(2-methylphenyl)-2-butensäureamid
N-ETHYL-O-CROTONOTOLUIDIDE · Eurax · Crotalgin · n-ethyl-n-(2-methylphenyl)-butenamide · Eurasil · Euraxil · Veteusan · Crotamtex
Identifikatoren & physikalische Daten
| CAS No. | 483-63-6 |
|---|---|
| Summenformel | C13H17NO |
| Durchschnittliche Molmasse | 203,28 g/mol |
| Monoisotopische Masse | 203,13101417 g/mol |
| SMILES | CC=CC(=O)N(CC)c1ccccc1C |
| InChIKey | DNTGGZPQPQTDQF-UHFFFAOYSA-N |
| PubChem CID | 2883 |
| ChEMBL | CHEMBL3183440 |
| EC No. | 207-596-3 |
| DTXSID | DTXSID6040664 |
| Lokaler Name | N-Ethyl-N-(2-methylphenyl)-2-butensäureamid |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 235 |
| LogP (Verteilungskoeffizient) | 2.9 |
| Löslichkeit | 3.53e-01 g/Lethanol: solubleSoluble in water (1:500), alcohol, methanol, ether, and ethanol. |
| Human Drugs | FDA approved drugs -> Active ingredient |
| Schmelzpunkt | < 25 °C25°C |
| Physical Description | Solid |
| Collision Cross Section | 157.0 Ų [M+Na]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID6040664] |
| Siedepunkt | 153-155 °C/13 mmHg (lit.) |
| Dichte | 0.987 g/mL at 25 °C (lit.) |
| Brechungsindex | n 20/D 1.54 (lit.) |
| Flammpunkt | 113 °C - closed cup |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | oil |
| pKa (Säurekonstante) | 1.14±0.50(Predicted) |
| Farbe | Colourless to Light Brown |
| Merck | 13,2622 |
| Stabilität | Light Sensitive |
| Hauptanwendungen | pharmaceutical |
| Kosmetik-Inhaltsstoffe Funktionen | SOLVENTANTIMICROBIAL |
| InChI | 1S/C13H17NO/c1-4-8-13(15)14(5-2)12-10-7-6-9-11(12)3/h4,6-10H,5H2,1-3H3/b8-4+ |
| InChIKey | DNTGGZPQPQTDQF-XBXARRHUSA-N |
| SMILES | CCN(C(=O)\C=C\C)c1ccccc1C |
| LogP (Verteilungskoeffizient) | 3.099 (est) |
| CAS Datenbank | 483-63-6(CAS DataBase Reference) |
| NIST chemische Informationen | Crotamiton(483-63-6) |
| EPA chemische Informationen | Crotamiton (483-63-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Weitere Sicherheitsinformationen | IMAP assessments - 2-Butenamide, N-ethyl-N-(2-methylphenyl)-: Human health tier I assessment |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2924296000 |
| RTECS-Nr. | GQ7000000 |
| R-Sätze (R) | 22-36/38-43 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 Oral |
Anwendungen & Verwendung
Beschreibung
Crotamiton is available as a 10% cream for the treatment of scabies, although it is less effective than pyrethrins or permethrin. Because crotamiton may need to be applied a second time for successful treatment of scabies but the pyrethrins or permethrin require a single application, poor patient compliance with crotamiton may reduce its effectiveness. The advantage of crotamiton over lindane comes from the fact that lindane has potential neurotoxicity if absorbed especially in infants and children, whereas crotamiton has less systemic neurotoxicity.
Verwenden
N-Ethyl-o-crotonotoluidide (Crotamiton) was used to treat scabies and various pruritic dermatoses.