基本情報
- CAS
24169-02-6- 標準SMILES
Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.O=[N+]([O-])O- InChIKey
DDXORDQKGIZAME-UHFFFAOYSA-N- 分子式
- C18H15Cl3N2O.HNO3
- 平均分子量
- 444.7 g/mol
- 単同位体質量
- 443.020639
概要
Econazole nitrate is a white crystalline powder. (NTP, 1992)
名称と識別子
- 優先名称
- Econazole Nitrate
- IUPAC
- 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
- 現地名
- エコナゾール硝酸塩
- 英語名
- Econazole nitrate
- 分子式
- C18H16Cl3N3O4
- 分子量
- 444.7
名称と別名
Econazole nitrate24169-02-6SpectazoleIfenecEpi-pevarylPevarylGyno-Pevaryl 150Econazole mononitrate(+-)-Econazole nitratePalavaleEcozaR 14827
名称をさらに表示
エコナゾール硝酸塩硝酸エコナゾールパラベールエコナゾールニトラートエコスタチンアミセル1-[2-[(4-クロロフェニル)メトキシ]-2-(2,4-ジクロロフェニル)エチル]-1H-イミダゾール·硝酸塩エコナゾールニトレート硝酸エコナゾ-ル1-[2-(4-クロロベンジルオキシ)-2-(2,4-ジクロロフェニル)エチル]イミダゾール硝酸塩エコナゾール 硝酸塩エコナゾール硝酸塩 (JAN)1-[2-[(4-クロロフェニル)メトキシ]-2-(2,4-ジクロロフェニル)エチル]-1H-イミダゾール・硝酸塩ECONAZOL NITRATEParginAmicelMicoginGynorylSQ 13050Micofugale NitrateNSC 243115Gyno-Pevaril
DTXSID6025226H438WYN10ER 14,8271-(2,4-Dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)imidazole nitrateSQ13050SQ-13050DTXCID905226R14827
物性
構造計算による物性
- 極性表面積
- 93.1 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 5
- 回転可能結合数
- 6
- 重原子数
- 28
- 形式電荷
- 0
- 複雑度
- 404
実験および物理化学的性質
Solubilityless than 1 mg/mL at 66 °F (NTP, 1992)
Human Drugs
Breast Feeding; Lactation; Milk, Human; Antifungal Agents; Anti-Infective Agents
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Melting Point324 °F (NTP, 1992)
Physical DescriptionEconazole nitrate is a white crystalline powder. (NTP, 1992)
Collision Cross Section184.8 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
物理化学的性質
- 融点
- 162 °C · 162°C
- 貯蔵温度
- Inert atmosphere,Room Temperature
- 溶解性
- 25 mg/mL · クロロホルム/メタノール:可溶 25mg/mL (クロロホルム:メタノール(1:1))
- 外見
- 粉
- 色
- ホワイトからオフホワイト
- 水溶解度
- 0.1 g/100 · <0.1 g/100 mL で 19 ºC
- Merck
- 14 · 14,3502
- 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)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 1.9% (1 of 53) of reports.
Warning
H302 (98.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 53 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
危険有害性情報
Regulatory Information
Hazard Traits - Bioaccumulation; Environmental Persistence
Econazole nitrate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - 1H-Imidazole, 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-, nitrate (1:1): Environment tier I assessment
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health Hazards
SYMPTOMS: Symptoms of exposure to this compound include skin effects such as burning, itching, stinging and erythema. Other symptoms include irritation, nausea, vomiting, mild and transitory auditory hallucinations, mild and transitory visual hallucinations, cephalalgia and dizziness.
Reactive GroupAmines, Phosphines, and Pyridines
Air and Water ReactionsInsoluble in water.
Hazard Classes and Categories
化学と産業
薬理情報
Metabolism/MetabolitesHepatic.
FDA Pharmacological Classification
ECONAZOLE NITRATE
Azoles [CS]; Azole Antifungal [EPC]
MeSH Pharmacological Classification
Substances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues.
Compounds that specifically inhibit STEROL 14-DEMETHYLASE. A variety of azole-derived ANTIFUNGAL AGENTS act through this mechanism.
用途と製造
Uses
For topical application in the treatment of tinea pedis, tinea cruris, and tinea corporis caused by <i>Trichophyton rubrum</i>, <i>Trichophyton mentagrophytes</i>, <i>Trichophyton tonsurans</i>, <i>Microsporum canis</i>, <i>Microsporum audouini</i>, <i>Microsporum gypseum</i>, and <i>Epidermophyton floccosum</i>, in the treatment of cutaneous candidiasis, and in the treatment of tinea versicolor.
応用分野
使用Econazole nitrate is an antifungal agent of the imidazole type used in topical and vaginal preparations to prevent growth of dermatophytes, yeast, and mold.
一般的な説明White crystalline powder.
上流・下流製品情報
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