기본 정보
- 표준 SMILES
Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.O=[N+]([O-])O- InChIKey
MCCACAIVAXEFAL-UHFFFAOYSA-N- 분자식
- C18H15Cl4N3O4
- 평균 분자량
- 479.1 g/mol
- 단동위원소 질량
- 476.98166668
개요
Miconazole is an antifungal prescription medicine approved by the U.S. Food and Drug Administration (FDA) for the treatment of mucocutaneouscandidiasis, including:
이름 및 식별자
- 우선 이름
- Miconazole Nitrate
- IUPAC
- 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;nitric acid
- 현지명
- 미코나졸나이트레이트
- 영어명
- Miconazole nitrate
- 분자식
- C18H14Cl4N2O.HNO3
- 분자량
- 479.14
이름 및 동의어
Miconazole nitrate22832-87-7DermonistatMicatinMonistat-DermMiconazole 7Monistat 3Monistat 5Monistat 7M-zole 7 Dual PackPriconazoleM-zole 3 Combination Pack
이름 더 보기
미코나졸나이트레이트monistatTocris BioscienceIsoconazole IMpurity C Nitrate (Miconazole Nitrate)EcobiVodolDaktarFloridAflorixBrentanHi-Pick
Miconazole 1Miconazole 3Monistat Dual-pakMonistat 3 Combination PackMonistat 7 Combination PackMonistat-3 Combination PackBaza cream antifungalBaza cream
데이터베이스 식별자
- CAS
22832-87-7- PubChem CID
- 68553
- DTXSID
DTXSID50996767- ChEMBL
CHEMBL1559- UNII
- VW4H1CYW1K
- EC Number
- 245-256-6、922-010-2
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
- 29
- 형식 전하
- 0
- 복잡도
- 441
실험 및 물리화학적 성질
Solubility26.3 [ug/mL] (The mean of the results at pH 7.4)
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Animal Drugs
FDA approved animal drugs -> Active ingredient
Pharmaceuticals -> UK Veterinary Medicines Directorate List
Collision Cross Section189.4 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 녹는점
- 170 · 170-185 C
- 밀도
- 1.5 · 1.5000 (rough estimate)
- 굴절률
- 1.62 · 1.6200 (estimate)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 50 mg/mL · 피리딘: 용해성50mg/mL
- 물리적 상태
- Solid
- 색상
- 흰색에서 황백색까지
- 수용성
- 물에 약간 용해됩니다. 프로필렌 글리콜 또는 피리딘에 용해됩니다.
- Merck
- 14 · 14,6178
- 주요 응용
- 의약품(소분자)
- 화장품 원료 기능
- 항균
- InChI
- InChI=1S/C18H14Cl4N2O.HNO3/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;2-1(3)4/h1-8,11,18H,9-10H2;(H,2,3,4)
- InChIKey
- MCCACAIVAXEFAL-UHFFFAOYSA-N
- SMILES
- C(C1C=CC(=CC=1Cl)Cl)(OCC1C=CC(=CC=1Cl)Cl)CN1C=NC=C1.N(O)(=O)=O
화학적 성질
White Solid
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 161 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
REACH registered substance: Miconazole nitrate (EC: 245-256-6)
Miconazole nitrate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-, mononitrate: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
독성 정보
Exposure RoutesTopical
Toxicity Summary
Miconazole interacts with 14-α demethylase, a cytochrome P-450 enzyme necessary to convert lanosterol to ergosterol. As ergosterol is an essential component of the fungal cell membrane, inhibition of its synthesis results in increased cellular permeability causing leakage of cellular contents. Miconazole may also inhibit endogenous respiration, interact with membrane phospholipids, inhibit the transformation of yeasts to mycelial forms, inhibit purine uptake, and impair triglyceride and/or phospholipid biosynthesis.
Signs and SymptomsIngestion of the amounts of the components contained in a tube of cream are unlikely to produce overdosage and toxic effects.
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Toxicity DataLD50: 3800 mg/kg (Oral, Mouse) (A308)
LD50: 3 gm/kg (Oral, Rat) (A308)
안전 데이터
- wgk
- 3
- rtecs
- NI4771000
- ridadr
- 3249
- HS 번호
- 2933290000
- risk_code
- 22-43-40
- hazard_code
- Xn
- safety_code
- 36/37
- 포장분류
- III
- 위험 등급
- 6.1(b)
- Hazard Classifications
- Acute Tox. 4 OralSkin Sens. 1
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
FDA Pharmacological Classification
2% MICONAZOLE NITRATE CREAM
Azoles [CS]; Azole Antifungal [EPC]
ANTI-FUNGAL MICONAZOLE ATHLETES FOOT SPRAY TALC FREE
Azole Antifungal [EPC]; Azoles [CS]
ANTI-FUNGAL POWDER MICONAZOLE NITRATE TALC FREE
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.
Drugs and compounds which inhibit or antagonize the biosynthesis or actions of CYTOCHROME P-450 CYP2C9.
Drugs and compounds which inhibit or antagonize the biosynthesis or actions of CYTOCHROME P-450 CYP3A.
용도 및 제조
Uses
For topical application in the treatment of tinea pedis (athlete’s foot), tinea cruris, and tinea corporis caused by <i>Trichophyton rubrum</i>, <i>Trichophyton mentagrophytes</i>, and <i>Epidermophyton floccosum</i>, in the treatment of cutaneous candidiasis (moniliasis), and in the treatment of tinea versicolor.
Household ProductsInformation on 1 consumer products that contain Miconazole Nitrate in the following categories is provided:
응용 분야
개요Miconazole is a widely used antifungal imidazole that acts by inhibiting the 14α-demethylation of lanosterol, which consequently leads to the inhibition of ergosterol synthesis in fungal cell membranes. Additionally, miconazole has been shown to induce reactive oxygen species in fungal biofilms, demonstrating a MIC value of ≥256 μM against Candida spp.
용도Antifungal (topical).
일반 설명Pharmaceutical secondary standards for application in quality control, provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards. Miconazole nitrate is an imidazole derivative and a broad spectrum antifungal drug used in the management of fungal outbreak in humans and veterinary animals.
상·하류 제품 정보
상류 원료
공급사50 곳
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
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上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
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安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
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MedChemexpress LLC021-58955995 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
合肥天健化工有限公司551-65418679 15856988503;15837135945 · [email protected]
武汉泽诺生物科技有限公司027-87781970 15172508891 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
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TCI AMERICA800-4238616 · [email protected]
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广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
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HBCChem, Inc.+1-510-219-6317 · [email protected]
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