Climbazol
CLIMBAZOL · Crinipan AD · baypival · 1-[(4-Chlorophenoxy)(tert-butylcarbonyl)Methyl]iMidazole · 1-(4-Chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one · BAYSAN · MEB-6401 · climbazo
Identifikatoren & physikalische Daten
| CAS No. | 38083-17-9 |
|---|---|
| Summenformel | C15H17ClN2O2 |
| Durchschnittliche Molmasse | 292,76 g/mol |
| Monoisotopische Masse | 292,09785546 g/mol |
| SMILES | CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1ccnc1 |
| InChIKey | OWEGWHBOCFMBLP-UHFFFAOYSA-N |
| PubChem CID | 37907 |
| ChEMBL | CHEMBL1437764 |
| ChEBI | CHEBI:83719 |
| EC No. | 253-775-4 |
| DTXSID | DTXSID6046555 |
| Lokaler Name | Climbazol |
Chemische & physikalische Eigenschaften
| XLogP | 3,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 44,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 20 |
| Formalladung | 0 |
| Komplexität | 335 |
| Kosmetika | Preservative |
| Human Drugs | Pharmaceuticals |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 96-100°C |
| Siedepunkt | 447.5±40.0 °C(Predicted) |
| Dichte | 1.17±0.1 g/cm3(Predicted) |
| Dampfdruck | 0.001Pa at 25℃ |
| Brechungsindex | 1.54 |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Insoluble in water58mg/L at 25℃ |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 5.66±0.22(Predicted) |
| Farbe | White to Almost white |
| BRN | 618020 |
| Hauptanwendungen | agricultureenvironmental |
| Kosmetik-Inhaltsstoffe Funktionen | ANTIMICROBIALPRESERVATIVEANTI-SEBORRHEIC |
| InChI | 1S/C15H17ClN2O2/c1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12/h4-10,14H,1-3H3 |
| InChIKey | OWEGWHBOCFMBLP-UHFFFAOYSA-N |
| SMILES | CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2ccnc2 |
| LogP (Verteilungskoeffizient) | 3.83 at 25℃ |
| CAS Datenbank | 38083-17-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 0.5% (1 of 200) of reports.WarningH302 (99.5%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 200 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 2-Butanone, 1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethyl-REACH registered substance: Climbazole (EC: 253-775-4)2-Butanone, 1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - 2-Butanone, 1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethyl-: Human health tier II assessment |
| Hazard Classes and Categories | Acute Tox. 4 (99.5%)Acute toxicity - category 4 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3077 |
| Zollcode | 29332900 |
| RTECS-Nr. | EL7085000 |
| R-Sätze (R) | 22-50/53 |
| Gefahrensymbole | Xn,N |
| Sicherheitshinweise (S) | 60-61 |
| Lagerklasse | 13 - Non Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1 |
Anwendungen & Verwendung
Beschreibung
(±)-Climbazole is an imidazole antifungal agent. It inhibits the growth of C. albicans (MIC = 0.29 μg/ml), as well as clinical isolates of M. pachydermatis (MICs = M. furfur (MICs = in vitro. It also reduces the size of Malassezia populations on the skin of naturally infected dogs when used at a dose of 2% in shampoo. (±)-Climbazole (80 mg/kg) increases the levels of cytochrome P450 in rat liver. Formulations containing climbazole have been used in the treatment of dandruff.
Verwenden
Climbazole is an imidazole antifungal agent that can provide anti-dandruff benefits when incorporated into a shampoo matrix. s assay and did not induce micronuclei in human lymphocytes.