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24169-02-6 分子结构
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1-{2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole; nitric acid

ChemBase编号:73070
分子式:C18H16Cl3N3O4
平均质量:444.69634
单一同位素质量:443.02063905
SMILES和InChIs

SMILES:
c1c(cc(c(c1)C(Cn1ccnc1)OCc1ccc(cc1)Cl)Cl)Cl.[N+](=O)([O-])O
Canonical SMILES:
Clc1ccc(cc1)COC(c1ccc(cc1Cl)Cl)Cn1cncc1.[O-][N+](=O)O
InChI:
InChI=1S/C18H15Cl3N2O.HNO3/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;2-1(3)4/h1-9,12,18H,10-11H2;(H,2,3,4)
InChIKey:
DDXORDQKGIZAME-UHFFFAOYSA-N

引用这个纪录

CBID:73070 http://www.chembase.cn/molecule-73070.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; nitric acid
IUPAC传统名
econazole; nitric acid
acid, nitric; econazole
别名
Ecostatin; Epi-Pevaryl; Gyno-Pevaryl; Gynoryl
Econazole nitrate
1-(2-[(4-Chlorophenyl)methoxy]-2-[2,4-dichlorophenyl]ethyl)-1H-imidazole
Econazole nitrate salt
1-[2-[(4-Chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole Nitrate
1-[2-(4-Chlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole Nitrate
Econazole nitrate
Ecostatin
Epi-Pevaryl
Gyno-Pevaril
Gynoryl
Ifenec
Micofugal
Micogin
Palavale
Pargin
Pevaryl
(+/-)-Econazole Nitrate
NSC 243115
1-[2-([4-Chlorophenyl]methoxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole nitrate
CAS号
24169-02-6
EC号
246-053-5
MDL号
MFCD00058160
PubChem SID
24894567
162037990
PubChem CID
68589

理论计算性质

理论计算性质

JChem
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 

分子性质

分子性质

理化性质 安全信息 产品相关信息 生物活性(PubChem)
溶解度
Methanol expand 查看数据来源
外观
White to Off-White Solid expand 查看数据来源
熔点
162-166°C expand 查看数据来源
163-165°C (dec.) expand 查看数据来源
保存条件
-20°C expand 查看数据来源
Refrigerator expand 查看数据来源
Room Temperature (15-30°C) expand 查看数据来源
RTECS编号
NI4450000 expand 查看数据来源
欧盟危险性物质标志
有害性(Harmful) 有害性(Harmful) (Xn) expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
德国WGK号
3 expand 查看数据来源
危险公开号
22-36/38 expand 查看数据来源
R:22-36/37/38 expand 查看数据来源
安全公开号
26-36 expand 查看数据来源
S:25-26-36/37/39 expand 查看数据来源
GHS危险品标识
GHS07 expand 查看数据来源
GHS警示词
Warning expand 查看数据来源
GHS危险声明
H302-H315-H319 expand 查看数据来源
GHS警示性声明
P305 + P351 + P338 expand 查看数据来源
个人保护装置
dust mask type N95 (US), Eyeshields, Gloves expand 查看数据来源
成盐信息
nitrate expand 查看数据来源
质检报告
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源

详细说明

详细说明

MP Biomedicals MP Biomedicals Selleck Chemicals Selleck Chemicals Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals -  02157897 external link
(1-[2-([4-Chlorophenyl]methoxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole nitrate)
Selleck Chemicals -  S2535 external link
Research Area: Infection
Biological Activity:
Econazole nitrate (Spectazole) is an imidazole class antifungal medication. Econazole nitrate (Spectazole) is used to treat skin infections such as athlete’s foot, tinea, pityriasis versicolor, ringworm, and jock itch. The in vitro activity spectrum of econazole nitrate (Spectazole) is very broad: the dermatophytes, the yeasts, the dimorphic fungi, the aspergilli, the mycetoma causing agents and the Gram-positive bacteria being most sensitive. Guinea-pigs infected with T. mentagrophytes, M. canis or C. albicans and treated topically or orally with econazole, were cured. In each of these tests the activity of econazole was compared with that of different reference drugs. Vaginal candidiasis in rats was cured after oral administration of econazole. [1][2]
Sigma Aldrich -  E4632 external link
Application
Econazole is a broad spectrum antimycotic similar to ketoconazole. It has some action against Gram positive bacteria. It is used topically in dermatomycoses as well as orally and parenterally. It is used for studies on processes such as platelet serotonin uptake, prostanoid biosynthesis, EDHF-mediated relaxation, and Ca2+ transport pathways in thymic lymphocytes1.
Biochem/physiol Actions
Econazole interacts with 14-α demethylase, a cytochrome P-450 enzyme necessary to convert lanosterol to ergosterol. Inhibition of ergosterol results in increased cellular permeability causing leakage of cellular contents. Econazole may also inhibit endogenous respiration, interact with membrane phospholipids, inhibit the transformation of yeasts to mycelial forms, inhibit purine uptake, and impair triglyceride and phospholipid biosynthesis. It Inhibits Ca2+ transport pathways in thymic lymphocytes1.

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • http://en.wikipedia.org/wiki/Econazole
  • Passerini, N., et al.: J. Pharm. Pharmacol., 61, 559 (2009)
  • Gohil, V., et al.: Nat. Biotechnol., 28, 249 (2009)
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专利

专利

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互联网资源

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