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Butenafine
But·Nafine · BUTENAFINE · Butenafine USP/EP/BP · 4-tert-Butylbenzylmethyl 1-naphtylmethylamine · (4-tert-butylbenzyl)-methyl-(1-naphthylmethyl)amine · N-methyl-N-(4-methylbenzyl)-N-(1-naphthylmethyl)amine · N-(4-tert-Butylbenzyl)-N-methyl-1-naphthalenemethanamine · n-(p-tert-butylbenzyl)-n-methyl-1-naphthalenemethylamine
Identifikatoren & physikalische Daten
| CAS No. | 101828-21-1 |
|---|---|
| Summenformel | C23H27N |
| Durchschnittliche Molmasse | 317,5 g/mol |
| Monoisotopische Masse | 317,21434987 g/mol |
| SMILES | CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12 |
| InChIKey | ABJKWBDEJIDSJZ-UHFFFAOYSA-N |
| PubChem CID | 2484 |
| ChEMBL | CHEMBL990 |
| ChEBI | CHEBI:3238 |
| DTXSID | DTXSID7040657 |
Chemische & physikalische Eigenschaften
| XLogP | 6,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 3,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 24 |
| Formalladung | 0 |
| Komplexität | 374 |
| LogP (Verteilungskoeffizient) | 6.6 |
| Löslichkeit | Slightly soluble (HCl salt)7.56e-05 g/LDMSO: 63 mg/mL (198.44 mM)Ethanol: 63 mg/mL (198.44 mM)Water: Insoluble |
| Physical Description | Solid |
| Schmelzpunkt | 200-202 °C |
| Siedepunkt | 426.1±14.0 °C(Predicted) |
| Dichte | 1.032±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Store at -20°C |
| pKa (Säurekonstante) | 7.87±0.50(Predicted) |
| LogP (Verteilungskoeffizient) | 6.770 (est) |
| CAS Datenbank | 101828-21-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| Effects During Pregnancy and Lactation | ◉ Summary of Use during LactationTopical butenafine has not been studied during breastfeeding. Because it is poorly absorbed after topical application, it is not likely to reach the bloodstream of the infant or cause any adverse effects in breastfed infants. Ensure that the infant's skin does not come into direct contact with the areas of skin that have been treated. Only water-miscible cream or gel products should be applied to the breast because ointments may expose the infant to high levels of mineral paraffins via licking.◉ Effects in Breastfed InfantsRelevant published information was not found as of the revision date.◉ Effects on Lactation and Breastmilk |
|---|
Anwendungen & Verwendung
Verwenden
Butenafine (Mentax) is a synthetic benzylamine antifungal agent, related structurally and pharmacologically to terbinafine. It is thought to act by inhibiting the enzyme squalene 2,3-epoxidase, resulting in decreased ergosterol and corresponding increase in squalene, with subsequent cell membrane permeability alteration and cell death. It is active against dermatophytes, yeast, and Sporothrix.