基本情報
- CAS
98079-52-8- 標準SMILES
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21.Cl- InChIKey
KXEBLAPZMOQCKO-UHFFFAOYSA-N- 分子式
- C17H20ClF2N3O3
- 平均分子量
- 387.8 g/mol
- 単同位体質量
- 387.1161255
概要
Lomefloxacin hydrochloride is the hydrochloride salt of lomefloxacin. It is administered by mouth to treat bacterial infections including bronchitis and urinary tract infections. It is also used topically as eye drops for the treatment of bacterial conjunctivitis, and as ear drops for the treatment of otitis externa and otitis media. It has a role as an antitubercular agent, an antimicrobial agent and a photosensitizing agent. It contains a lomefloxacin.
名称と識別子
- 優先名称
- Lomefloxacin Hydrochloride
- IUPAC
- 1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrochloride
- 現地名
- 塩酸ロメフロキサシン
- 英語名
- Lomefloxacin hydrochloride
- 分子式
- C17H20ClF2N3O3
- 分子量
- 387.81
名称と別名
Lomefloxacin hydrochloride98079-52-8Lomefloxacin HClNy-198MazaquinSC-47111Lomefloxacin monohydrochlorideDTXSID20455279VC7S3ZXXB1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochlorideNY 198NSC-758168
名称をさらに表示
塩酸ロメフロキサシンロメフロキサシン塩酸塩ロメフロン-ミニムスロメバクト1-エチル-6,8-ジフルオロ-1,4-ジヒドロ-7-(3-メチル-1-ピペラジニル)-4-オキソ-3-キノリンカルボン酸·塩酸塩ロメフロンバレオンロメフロキサシン·塩酸塩1-エチル-6,8-ジフルオロ-1,4-ジヒドロ-7-(3-メチル-1-ピペラジニル)-4-オキソ-3-キノリンカルボン酸塩酸塩ロメフロキサシン塩酸塩標準品ロメフロキサシン 塩酸塩ロメフロキサシン塩酸塩 (JAN)1-エチル-6,8-ジフルオロ-1,4-ジヒドロ-7-(3-メチル-1-ピペラジニル)-4-オキソ-3-キノリンカルボン酸・塩酸塩ロメフロキサシン・塩酸塩1-Ethyl-6,8-difluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid hydrochlorideny198omefLOkacin
物性
構造計算による物性
- 極性表面積
- 72.9 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 8
- 回転可能結合数
- 3
- 重原子数
- 26
- 形式電荷
- 0
- 複雑度
- 585
実験および物理化学的性質
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Collision Cross Section188.4 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
物理化学的性質
- 融点
- 290 · 290-3000C
- 貯蔵温度
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- 溶解性
- 1 M · 1M NaOH: 可溶50mg/mL
- 外見
- powder to crystal
- 色
- ホワイトからオフホワイト
- 由来生物
- synthetic
- Merck
- 14 · 14,5562
- InChI
- InChI=1S/C17H19F2N3O3.ClH/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22;/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25);1H
- InChIKey
- KXEBLAPZMOQCKO-UHFFFAOYSA-N
- SMILES
- N1(CC)C2=C(C=C(F)C(N3CCNC(C)C3)=C2F)C(=O)C(C(O)=O)=C1.[H]Cl
- CAS データベース
- 98079 · 98079-52-8(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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 4 (100%)
毒性情報
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Lomefloxacin hydrochloride
Ambiguous-DILI-concern
4
Adverse reactions
DOI:10.1016/j.drudis.2016.02.015
安全データ
- wgk
- 3
- rtecs
- VB1997500
- hs_code
- 29339900
- risk_code
- 22
- hazard_code
- Xn
- Hazard Classifications
- Acute Tox. 4 Oral
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
MeSH Pharmacological Classification
Substances that inhibit the growth or reproduction of BACTERIA.
Compounds that inhibit the activity of DNA TOPOISOMERASE II. Included in this category are a variety of ANTINEOPLASTIC AGENTS which target the eukaryotic form of topoisomerase II and ANTIBACTERIAL AGENTS which target the prokaryotic form of topoisomerase II.
応用分野
用途DNA ジャイレースを阻害し、 抗菌作用を示します。
用途DNA ジャイレースを阻害し、 抗菌作用を示します。
説明Lomefloxacin hydrochloride is the hydrochloride form of Lomefloxacin. Lomefloxacin is a bactericidal fluoroquinolone agent that is active against gram-negative and gram-positive organisms. Lomefloxacin inhibits bacterial DNA gyrase (topoisomerase II) and topoisomerase IV, which are needed for the transcription and replication of bacterial DNA. DNA gyrase is thought to be the primary quinolone target for gram-negative bacteria. Topoisomerase IV is thought to be the primary target in gram-positive organisms. The inhibition of the topoisomerases results in strand breakage of the bacterial chromosome, supercoiling, and resealing. Therefore, DNA replication and transcription is inhibited. Lomefloxacin can be used to treat many kinds of infections such as respiratory, urinary tract, obstetric, gynaecological, joint, skin, oral, ear, nose, throat and eye infections. Compared with other quinolone antibacterial drugs, lomefloxacin has certain advantages such as convenient administration and no necessity of theophylline dosage adjustment.
使用Fluorinated quinolone antibacterial. DNA gyrase antagonist
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