Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
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

식별자 및 물리적 특성
| CAS No. | 101828-21-1 |
|---|---|
| 분자식 | C23H27N |
| 평균 분자량 | 317.5 g/mol |
| 단동위원소 질량 | 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 |
화학 및 물리적 성질
| XLogP | 6.3 |
|---|---|
| 극성 표면적 | 3.2 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 5 |
| 무거운 원자 수 | 24 |
| 형식 전하 | 0 |
| 복잡도 | 374 |
| LogP(분배 계수) | 6.6 |
| 용해도 | Slightly soluble (HCl salt)7.56e-05 g/LDMSO: 63 mg/mL (198.44 mM)Ethanol: 63 mg/mL (198.44 mM) |
| Physical Description | Solid |
| 녹는점 | 200-202 °C |
| 끓는 점 | 426.1±14.0 °C(Predicted) |
| 밀도 | 1.032±0.06 g/cm3(Predicted) |
| 저장 조건 | Store at -20°C |
| pKa(산도 계수) | 7.87±0.50(Predicted) |
| 용해도 | Water: Insoluble |
| LogP(분배 계수) | 6.770 (est) |
안전 및 규제
| 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 |
|---|
용도
용도
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.