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27220-47-9 分子结构
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1-{2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole

ChemBase编号:998
分子式:C18H15Cl3N2O
平均质量:381.6835
单一同位素质量:380.02499615
SMILES和InChIs

SMILES:
Clc1c(C(OCc2ccc(Cl)cc2)Cn2ccnc2)ccc(Cl)c1
Canonical SMILES:
Clc1ccc(cc1)COC(c1ccc(cc1Cl)Cl)Cn1cncc1
InChI:
InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
InChIKey:
LEZWWPYKPKIXLL-UHFFFAOYSA-N

引用这个纪录

CBID:998 http://www.chembase.cn/molecule-998.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
1-{2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole
IUPAC传统名
econazole
商标名
Econazole Nitrate
Ecostatin
Ecostatin Vaginal Ovules
Ecostatin cream
Gyno-Pevaryl
Gyno-Pevaryl 150
Ifenec
Palavale
Pevaryl
Spectazole
Spectazole cream
别名
Econazole
1-(2-((4-chlorophenyl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-1h-imidazole
CAS号
27220-47-9
PubChem SID
46508881
160964461
PubChem CID
3198

数据来源

数据来源

所有数据来源 商品来源 非商品来源
数据来源 数据ID 价格
苏州艾佳
AJA-O11594 external link 加入购物车 请登录

理论计算性质

理论计算性质

JChem ALOGPS 2.1
质子受体 质子供体
LogD (pH = 5.5) 4.8221188  LogD (pH = 7.4) 5.286615 
Log P 5.3523235  摩尔折射率 98.2628 cm3
极化性 38.087494 Å3 极化表面积 27.05 Å2
可自由旋转的化学键 里宾斯基五规则 false 
Log P 4.67  LOG S -5.41 
溶解度 1.48e-03 g/l 

分子性质

分子性质

理化性质 产品相关信息 生物活性(PubChem)
疏水性(logP)
5.5 expand 查看数据来源
纯度
98% expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank
DrugBank -  DB01127 external link
Item Information
Drug Groups approved
Description A broad spectrum antimycotic with some action against Gram positive bacteria. It is used topically in dermatomycoses also orally and parenterally. [PubChem]
Indication For topical application in the treatment of tinea pedis, tinea cruris, and tinea corporis caused by Trichophyton rubrum, Trichophyton mentagrophytes, Trichophyton tonsurans, Microsporum canis, Microsporum audouini, Microsporum gypseum, and Epidermophyton floccosum, in the treatment of cutaneous candidiasis, and in the treatment of tinea versicolor.
Pharmacology Econazole is an antifungal medication related to fluconazole (Diflucan), ketoconazole (Nizoral), itraconazole (Sporanox), and clotrimazole (Lotrimin, Mycelex). Econazole prevents fungal organisms from producing vital substances required for growth and function. This medication is effective only for infections caused by fungal organisms. It will not work for bacterial or viral infections.
Toxicity Overdosage of econazole in humans has not been reported to date. In mice, rats guinea pigs and dogs, the oral LD 50 values were found to be 462, 668, 272, and > 160 mg/kg, respectively.
Affected Organisms
Yeast and other fungi
Biotransformation Hepatic.
Absorption After topical application to the skin of normal subjects, systemic absorption of econazole nitrate is extremely low. Although most of the applied drug remains on the skin surface, drug concentrations were found in the stratum corneum which, by far, exceeded the minimum inhibitory concentration for dermatophytes.
External Links
Wikipedia
RxList
PDRhealth
Drugs.com

参考文献

参考文献

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专利

专利

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互联网资源

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