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Bufexamac
j3 · cp1044 · feximac · mofenar · parfenac · droxaryl · droxarol · cp1044j3
Identifikatoren & physikalische Daten
| CAS No. | 2438-72-4 |
|---|---|
| Summenformel | C12H17NO3 |
| Durchschnittliche Molmasse | 223,27 g/mol |
| Monoisotopische Masse | 223,1208434 g/mol |
| SMILES | CCCCOc1ccc(CC(=O)NO)cc1 |
| InChIKey | MXJWRABVEGLYDG-UHFFFAOYSA-N |
| PubChem CID | 2466 |
| ChEMBL | CHEMBL94394 |
| ChEBI | CHEBI:31317 |
| EC No. | 219-451-1 |
| DTXSID | DTXSID7045368 |
| Lokaler Name | Bufexamac |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 58,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 200 |
| Löslichkeit | Immiscible>33.5 [ug/mL] (The mean of the results at pH 7.4)Practically insoluble in water, soluble in dimethylformamide, slightly soluble in ethyl acetate and in methanol. |
| Schmelzpunkt | 153153-155° |
| Collision Cross Section | 161.48 Ų [M+Na]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]158.8 Ų [M+H]+ [CCS Type: TW161 Ų [M+H]+ [CCS Type: TW |
| Siedepunkt | 364.56°C (rough estimate) |
| Dichte | 1.1223 (rough estimate) |
| Brechungsindex | 1.5300 (estimate) |
| Lagerbedingungen | Inert atmosphere,Store in freezer, under -20°C |
| pKa (Säurekonstante) | 9.24±0.20(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| Merck | 14,1474 |
| CAS Datenbank | 2438-72-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.WarningH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]H317 (33.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 3 reports by companies.There are 2 notifications provided by 2 of 3 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Weitere Sicherheitsinformationen | IMAP assessments - Benzeneacetamide, 4-butoxy-N-hydroxy-: Environment tier I assessmentIMAP assessments - Benzeneacetamide, 4-butoxy-N-hydroxy-: Human health tier I assessment |
| Hazard Classes and Categories | Skin Sens. 1B (33.3%) |
| Wassergefährdungsklasse (WGK) | 2 |
| Zollcode | 2928.00.2500 |
| RTECS-Nr. | AK8280000 |
| Toxizität | LD50 orally in mice, rats: >8, >4 g/kg (Lambelin) |
Anwendungen & Verwendung
Verwenden
Bufexamac is a specific inhibitor of class IIB histone deacetylases (HDAC6 and HDAC10). Bufexamac is a non-steroidal anti-inflammatory drug used topically as well as rectally. Formulations containing Bufexamac is used by many patients with eczematous disorders as an alternative to topical corticosteroids.