기본 정보
- CAS
24169-02-6- 표준 SMILES
Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.O=[N+]([O-])O- InChIKey
DDXORDQKGIZAME-UHFFFAOYSA-N- 분자식
- C18H15Cl3N2O.HNO3
- 평균 분자량
- 444.7 g/mol
- 단동위원소 질량
- 443.020639
개요
Econazole nitrate is a white crystalline powder. (NTP, 1992)
이름 및 식별자
- 우선 이름
- Econazole Nitrate
- IUPAC
- 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
- 영어명
- Econazole nitrate
- 분자식
- C18H16Cl3N3O4
- 분자량
- 444.7
이름 및 동의어
Econazole nitrate24169-02-6SpectazoleIfenecEpi-pevarylPevarylGyno-Pevaryl 150Econazole mononitrate(+-)-Econazole nitratePalavaleEcozaR 14827
이름 더 보기
ECONAZOL NITRATEParginAmicelMicoginGynorylSQ 13050Micofugale NitrateNSC 243115Gyno-Pevaril
DTXSID6025226H438WYN10ER 14,8271-(2,4-Dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)imidazole nitrateSQ13050SQ-13050DTXCID905226R14827
데이터베이스 식별자
- CAS
24169-02-6、68797-31-9- PubChem CID
- 68589
- DTXSID
DTXSID6025226- ChEMBL
CHEMBL1201049- UNII
- H438WYN10E
- EC Number
- 246-053-5、272-295-6
물성
구조 계산 물성
- 극성 표면적
- 93.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 404
실험 및 물리화학적 성질
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]
물리화학적 성질
- 녹는점
- 162 °C · 162°C
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 25 mg/mL · 클로로포름/메탄올: 용해성25mg/mL(클로로포름:메탄올(1:1))
- 물리적 상태
- 가루
- 색상
- 흰색에서 황백색까지
- 수용성
- 19 · 19ºC에서 <0.1g/100mL
- 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)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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
유해성 정보
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
화학 및 산업
약리 정보
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.
용도 및 제조
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.
응용 분야
용도Econazole nitrate is an antifungal agent of the imidazole type used in topical and vaginal preparations to prevent growth of dermatophytes, yeast, and mold.
일반 설명White crystalline powder.
상·하류 제품 정보
상류 원료
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…