益康唑

益康唑 基本信息
CAS号 27220-47-9 分子式 C18H15Cl3N2O
分子量 381.68400 精确质量  380.02500
PSA  27.05000 LogP  5.80140

等价的CAS号:

27220-47-9,68797-30-8,73094-37-8,73094-39-0

基本信息 展开↓

CAS号:
27220-47-9
3D弹球模型:
立即前往扯扯看
分子式:
C18H15Cl3N2O
分子量:
381.68400
中文名称:
益康唑
英文名称:
Econazole
中文别名:
益康唑;
1-[2-[(4-氯苯基)甲氧基]-2-(2,4-二氯苯基)乙基]-1H-咪唑;
1-[2,4-二氯-2-(4-氯苄氧基)苯乙基]咪唑;
双氯甲氧苯咪唑
英文别名:
Econazole;
ECONAZOLUM
精确分子量/精确质量:
380.02500
极性分子表面积/PSA:
27.05000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
EINECS:
248-341-6
InChI:
InChI=1/C18H15Cl3N2O/c19-13-3-1-12(2-4-13)10-24-18(8-15-9-22-11-23-15)16-6-5-14(20)7-17(16)21/h1-7,9,11,15,18H,8,10H2

生产制备方法及用途展开↓

制备方法


用于皮肤念珠菌病的治疗;亦可用于治疗体癣、股癣、足癣、花斑癣。药理毒理:本品为抗真菌药,对白色念珠菌、球孢子菌、新生隐球菌、荚膜组织胞浆菌、皮炎芽生菌以及癣菌等有效。作用机制是抑制真菌细胞膜的合成,以及影响其代谢过程。

用途简介


物化性质展开↓

密度:
1.33 g/cm3
熔点:
86.8ºC
沸点:
533.8ºC at 760 mmHg

安全信息展开↓

危险类别码:
R36/37/38
安全说明:
24/25-36/37/39
危险标志:
Xi

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NI4767000
CHEMICAL NAME :
Imidazole, 1-(2,4-dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)-
CAS REGISTRY NUMBER :
27220-47-9
BEILSTEIN REFERENCE NO. :
0964150
LAST UPDATED :
199612
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C18-H15-Cl3-N2-O
MOLECULAR WEIGHT :
381.70

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TEST SYSTEM :
Rodent - mouse
DOSE/DURATION :
80 mg/kg
REFERENCE :
MUTAEX Mutagenesis. (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1986- Volume(issue)/page/year: 4,208,1989

MSDS 展开↓

  Material Safety Data Sheet

Section 1. Identification of the substance
    Product Name:      Econazole    
    Synonyms:        1-[2-[(4-Chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole    

Section 2. Hazards identification
    Harmful by inhalation, in contact with skin, and if swallowed.

Section 3. Composition/information on ingredients.
    Ingredient name:        Econazole    
    CAS number:        27220-47-9    

Section 4. First aid measures
    Skin contact:        Immediately wash skin with copious amounts of water for at least 15 minutes while removing    
    contaminated clothing and shoes. If irritation persists, seek medical attention.
    Eye contact:        Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate    
    flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
    attention.
    Inhalation:        Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.    
    Ingestion:        Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.    

Section 5. Fire fighting measures
    In the event of a fire involving this material, alone or in combination with other materials, use dry
    powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
    should be worn.

Section 6. Accidental release measures
    Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
    standards.
    Respiratory precaution:        Wear approved mask/respirator    
    Hand precaution:        Wear suitable gloves/gauntlets    
    Skin protection:        Wear suitable protective clothing    
    Eye protection:        Wear suitable eye protection    
    Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
    for disposal. See section 12.
    Environmental precautions: Do not allow material to enter drains or water courses.

Section 7. Handling and storage
    Handling:        This product should be handled only by, or under the close supervision of, those properly qualified    
    in the handling and use of potentially hazardous chemicals, who should take into account the fire,
    health and chemical hazard data given on this sheet.
    Store in closed vessels.
    Storage:

Section 8. Exposure Controls / Personal protection
    Engineering Controls: Use only in a chemical fume hood.
    Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
    General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section 9. Physical and chemical properties
    Appearance:        Not specified    
    Boiling point:        No data    
    No data
    Melting point:
    Flash point:        No data    
    Density:        No data    
    Molecular formula:        C18H15Cl3N2O    
    Molecular weight:        381.7    

Section 10. Stability and reactivity
    Conditions to avoid: Heat, flames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen chloride.

Section 11. Toxicological information
    No data.

Section 12. Ecological information
    No data.

Section 13. Disposal consideration
    Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
    disposal authority, in accordance with national and regional regulations.

Section 14. Transportation information
    Non-harzardous for air and ground transportation.

Section 15. Regulatory information
    No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
    302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
    Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:0

3.氢键受体数量:2

4.可旋转化学键数量:6

5.互变异构体数量:无

6.拓扑分子极性表面积:27

7.重原子数量:24

8.表面电荷:0

9.复杂度:379

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:1

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便