CAS 22916-47-8|Monistat 7 Combination Pack|Miconazole Nitrate|Miconazole-7|Miconazole 3|Monistat-3 Combination Pack|Monistat 5|1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-1H-imid...

基本信息

化学结构

分子式

C₁₈H₁₄Cl₄N₂O

分子量

416.12856

精确质量

413.9860238

电荷

InChI

InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2

InChIKey

BYBLEWFAAKGYCD-UHFFFAOYSA-N

Canonic Smiles

Clc1ccc(c(c1)Cl)COC(c1ccc(cc1Cl)Cl)Cn1cncc1

Isomeric Smiles

Clc1c(C(OCc2c(Cl)cc(Cl)cc2)Cn2ccnc2)ccc(Cl)c1

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

5.4261637

LogD (pH = 7.4)

5.89066

Log P

5.9563684

摩尔折射率

103.0676

极化性

40.009266

极化表面积

27.05

可自由旋转的化学键

里宾斯基五规则

false

ALOGPS 2.1

Log P

5.86

LOG S

-5.74

溶解度

7.63e-04 g/l

数据来源

名称和标识

商标名

Monistat 5Monistat 7 Combination PackMiconazole-7Monistat-3 Combination PackMonistat IVMiconazole NitrateMiconazole 3M-zole 3 Combination PackM-zole 7 Dual PackMonistat 7Monistat 3 Vaginal OvulesMonistat-DermMonistat 7 Vaginal SuppositoriesMiconazole 7 Combination PackNovo-Miconazole Vaginal OvulesMonistat 3ZimycanMonistatMiconazole Nitrate Combination PackMonazole 7Monistat 3 Combination PackVusionMiconazole 3 Combination PackFemizol-MMonistat 5 TamponMinostateDaktarinMonistat 3 Dual-PakMiconazole 7MicozoleMonistat 1 Combination PackMicatinMonistat Dual- PAKMonistat 7 Dual-PakDesenex, Monistat, Zeasorb-AF

IUPAC标准名

1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-1H-imidazole

别名

MCZMiconazolemiconazoleDaktarin IV; MJR 1762; Monistat IV; NSC 170981-[2,4-Dichloro-β-([2,4-dichloro-benzyl]oxy)phenethyl]imidazole1-(2-(2,4-dichlorophenyl)-2-((2,4-dichlorophenyl)methoxy)ethyl)-1h-imidazole

IUPAC传统名

miconazole

名称和标识

数据登录号

CAS号

22916-47-8

MDL号

MFCD00216019

美国药典/FDA物质标识码

7NNO0D7S5M

ATC码

J02AB01A01AB09S02AA13D01AC02A07AC01G01AF04

CHEBI ID

Chemspider ID

维基百科标题

KEGG ID

DrugBank ID

PubChem SID

Medline Plus

PubChem CID

IUPHAR配体索引

CHEMBL

EC号

245-324-5

数据登录号

化合物性质

理化性质

疏水性(logP)

6.1

溶解度

1g/100mL (20°C)

熔点

135°C

安全信息

保存条件

-20°C

Room Temperature (15-30°C)

RTECS编号

NI4770000

MSDS下载

下载链接

产品相关信息

成盐信息

Free Base

质检报告

下载链接

纯度

98%

化合物性质

分子相关蛋白质

暂无数据

点击上传数据

分子图谱

暂无数据

点击上传数据

描述信息

DrugBank

DB01110

Drug Groups

approved; investigational

Description

An imidazole antifungal agent that is used topically and by intravenous infusion. [PubChem]

Indication

For topical application in the treatment of tinea pedis (athlete’s foot), tinea cruris, and tinea corporis caused by Trichophyton rubrum, Trichophyton mentagrophytes, and Epidermophyton floccosum, in the treatment of cutaneous candidiasis (moniliasis), and in the treatment of tinea versicolor.

Pharmacology

Miconazole is an anti-fungal medication related to fluconazole (Diflucan), ketoconazole (Nizoral), itraconazole (Sporanox), and clotrimazole (Lotrimin, Mycelex). It is used either on the skin or in the vagina for fungal infections. Miconazole was approved by the FDA in 1974. Miconazole 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

Oral, mouse: LD₅₀ = 3800 mg/kg; Oral, rat: LD₅₀ = 3 gm/kg. Ingestion of the amounts of the components contained in a tube of cream are unlikely to produce overdosage and toxic effects.

Affected Organisms

Fungi, yeast and protozoans

External Links

• [Wikipedia]

• [RxList]

• [PDRhealth]

• [Drugs.com]

Selleck Chemicals

S2536

Research Area: Infection
Biological Activity:
Miconazole (Monistat) is an imidazole antifungal agent. Miconazole (Monistat) is common made into miconazole nitrate (riconazole; Prilagin; R 14889; Vodol; Zeasorb AF; Zimycan). Miconazole nitrate (riconazole; Prilagin; R 14889; Vodol; Zeasorb AF; Zimycan) is commonly applied topically to the skin or to mucus membranes to cure fungal infections. Miconazole nitrate (riconazole; Prilagin; R 14889; Vodol; Zeasorb AF; Zimycan) works by inhibiting the synthesis of ergosterol, a critical component of fungal cell membranes. Miconazole nitrate (riconazole; Prilagin; R 14889; Vodol; Zeasorb AF; Zimycan) can also be used against certain species of Leishmania protozoa which are a type of unicellular parasite that also contain ergosterol in their cell membranes. In addition to its antifungal and antiparasitic actions, Miconazole nitrate (riconazole; Prilagin; R 14889; Vodol; Zeasorb AF; Zimycan) also has some limited antibacterial properties. [1][2]

Free Base

描述信息

参考文献

PubChem文献

数据源提供

• Chang HT et al. Life Sci. 2005 Mar 18; 76(18):2091

参考文献

生物活性

PubChem BioAssay

生物活性

名称和标识

商标名

IUPAC标准名

1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-1H-imidazole

别名

IUPAC传统名

miconazole

数据登录号

CAS号

22916-47-8

MDL号

MFCD00216019

美国药典/FDA物质标识码

7NNO0D7S5M

ATC码

J02AB01A01AB09S02AA13D01AC02A07AC01G01AF04

CHEBI ID

Chemspider ID

维基百科标题

KEGG ID

DrugBank ID

PubChem SID

Medline Plus

PubChem CID

IUPHAR配体索引

CHEMBL

EC号

245-324-5

描述信息

DrugBank

DB01110

Drug Groups

approved; investigational

Description

An imidazole antifungal agent that is used topically and by intravenous infusion. [PubChem]

Indication

Pharmacology

Toxicity

Oral, mouse: LD₅₀ = 3800 mg/kg; Oral, rat: LD₅₀ = 3 gm/kg. Ingestion of the amounts of the components contained in a tube of cream are unlikely to produce overdosage and toxic effects.

Affected Organisms

Fungi, yeast and protozoans

External Links

• [Wikipedia]

• [RxList]

• [PDRhealth]

• [Drugs.com]

Selleck Chemicals

S2536

MP Biomedicals

02193915

Free Base