基本情報
- CAS
119006-77-8- 標準SMILES
Fc1ccc(C(c2ccccc2)(c2ccccc2F)n2ccnc2)cc1- InChIKey
QHMWCHQXCUNUAK-UHFFFAOYSA-N- 分子式
- C22H16F2N2
- 平均分子量
- 346.4 g/mol
- 単同位体質量
- 346.12815484
概要
Flutrimazole is an imidazole antifungal agent that is imidazole in which the hydrogen attached to the nitrogen is replaced by a 2,4'-difluorotrityl group. A topical antifungal agent which displays potent broad-spectrum in vitro activity against dermatophytes, filamentous fungi and yeasts. It has a role as an EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor. It is a member of imidazoles, a member of monofluorobenzenes and an imidazole antifungal drug.
名称と識別子
- 優先名称
- Flutrimazole
- IUPAC
- 1-[(2-fluorophenyl)-(4-fluorophenyl)-phenylmethyl]imidazole
- 現地名
- フルトリマゾール
- 英語名
- Flutrimazole
- 分子式
- C22H16F2N2
- 分子量
- 346.37
名称と別名
flutrimazole119006-77-8FlutrimazolUR-4056Flutrimazolum1-[(2-fluorophenyl)(4-fluorophenyl)phenylmethyl]-1H-imidazole1-((2-Fluorophenyl)(4-fluorophenyl)phenylmethyl)-1H-imidazole1-(o-Fluoro-alpha-(p-fluorophenyl)-alpha-phenylbenzyl)imidazole776S0UP252CHEBI:82864DTXSID30869622RefChem:141078
名称をさらに表示
フルトリマゾール1-[(2-フルオロフェニル)(4-フルオロフェニル)フェニルメチル]-1H-イミダゾールMicetalFLUTRIMAZOLCFlutrimazole CRSC13868000 FlutrimazoleFlutrimazole And Intermediates1-((2-fluorophenyl)(4-fluorophenyl)phenylmethyl)-1h-imidazol1-[(2-fluorophenyl)-(4-fluorophenyl)phenylmethyl]-1h-imidazole
D01AC16DTXCID10817580G01AF181-[(2-fluorophenyl)-(4-fluorophenyl)-phenylmethyl]imidazole1-[(2-Fluorophenyl)(4-fluorophenyl)(phenyl)methyl]imidazoleFlutrimazole [INN]MFCD008655911-((2-Fluorophenyl)(4-fluorophenyl)(phenyl)methyl)-1H-imidazole
データベース識別子
物性
構造計算による物性
- XLogP
- 4.6
- 極性表面積
- 17.8 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 4
- 重原子数
- 26
- 形式電荷
- 0
- 複雑度
- 445
実験および物理化学的性質
DrugsPharmaceuticals -> Dermatologicals -> Antifungals for dermatological use
物理化学的性質
- 融点
- 161 · 161-166℃
- 沸点
- 457.1 · 457.1±40.0 °C(Predicted)
- 比重(密度)
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- 貯蔵温度
- -20 °C · -20°C Freezer
- 溶解性
- 水にほとんど溶けず、テトラヒドロフランに溶けやすく、メタノールに溶けやすい。
- 酸解離定数(Pka)
- 6.03 · 6.03±0.34(Predicted)
- 外見
- Solid
- 色
- 白色～淡黄色
- 主な用途
- 医薬品（低分子化合物）
- InChI
- InChI=1S/C22H16F2N2/c23-19-12-10-18(11-13-19)22(26-15-14-25-16-26,17-6-2-1-3-7-17)20-8-4-5-9-21(20)24/h1-16H
- InChIKey
- QHMWCHQXCUNUAK-UHFFFAOYSA-N
- SMILES
- C1N(C(C2=CC=CC=C2F)(C2=CC=C(F)C=C2)C2=CC=CC=C2)C=CN=1
- CAS データベース
- 119006 · 119006-77-8(CAS DataBase Reference)
化学的性質
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 4 (100%)
安全データ
- 毒性
- LD50 in male, female mice, male, female rats (mg/kg): >1000, >1000, 808, 1214 orally; >2000, >2000, 1079, 1446 i.p. (Vericat)
- hs_code
- 2933299090
化学と産業
薬理情報
ATC Code
G - Genito urinary system and sex hormones
D - Dermatologicals
QD - Dermatologicals
QG - Genito urinary system and sex hormones
PharmacodynamicsFlutrimazole works against dermatophytes, filamentous fungi and yeasts.
Mechanism of ActionFlutrimazole inhibits lanosterol 14 alpha-demethylase and ergosterol biosynthesis.
MeSH Pharmacological ClassificationSubstances 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.
応用分野
説明Flutrimazole, a novel imidazole antifungal launched in Spain, is indicated for mycosis of the skin. Flutrimazole displays potent broad-spectrum of activity against dematophytes, filamentous fungi and yeasts, saprophytic and pathogenic to animals and humans. Similar to other imidazole and triazole antifungals, flutrimazole exerts its biological function through inhibition of fungal lanosterol 14a-demethylase. Excellent local and systemic tolerance of flutrimazole in patients has been reported.
使用Flutrimazole is a new imidazole antifungal agent with anti-inflammatory properties as well.
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