モキシフロキサシン塩酸塩

Moxifloxacin Hydrochloride

HCID 101526

基本情報

CAS: 186826-86-8
標準SMILES: COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.Cl
InChIKey: IDIIJJHBXUESQI-DFIJPDEKSA-N
分子式: C21H25ClFN3O4
平均分子量: 437.9 g/mol
単同位体質量: 437.1517621

概要

Moxifloxacin hydrochloride is a hydrochloride comprising equimolar amounts of moxifloxacin and hydrogen chloride. It has a role as an antibacterial drug. It contains a moxifloxacinium(1+).

名称と識別子

優先名称: Moxifloxacin Hydrochloride
IUPAC: 7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;hydrochloride
現地名: モキシフロキサシン塩酸塩
英語名: Moxifloxacin hydrochloride
分子式: C21H25ClFN3O4
分子量: 437.8923032

名称と別名

Moxifloxacin hydrochloride186826-86-8Moxifloxacin HClVigamoxBAY 12-8039MoxivigDTXSID4045921Bay-12-8039MoxezaMoxifloxacin (as hydrochloride)AL-15469ANSC-758875

名称をさらに表示

モキシフロキサシン塩酸塩モキシフロキサシン塩酸塩塩酸モキシフロキサシンモキシフロキサシン塩酸塩 (JAN)1-シクロプロピル-6-フルオロ-8-メトキシ-7-[(4aS,7aS)-オクタヒドロ-1H-ピロロ[3,4-b]ピリジン-6-イル]-4-オキソ-1,4-ジヒドロキノリン-3-カルボン酸・塩酸塩ベガモックスモキシフロキサシン・塩酸塩1-シクロプロピル-7-[(1S,6S)-2,8-ジアザビシクロ[4.3.0]ノナン-8-イル]-6-フルオロ-8-メトキシ-4-オキソ-1,4-ジヒドロキノリン-3-カルボン酸・塩酸塩1,4-ジヒドロ-1-シクロプロピル-6-フルオロ-8-メトキシ-4-オキソ-7-[[(4aα,7aα)-オクタヒドロ-1H-ピロロ[3,4-b]ピリジン]-6-イル]キノリン-3-カルボン酸・塩酸塩アベロックス1-シクロプロピル-6-フルオロ-8-メトキシ-7-[(4aS,7aS)-オクタヒドロピロロ[3,4-b]ピリジン-6-イル]-4-オキソ-1,4-ジヒドロキノリン-3-カルボン酸=一塩酸塩AveloxAVALOXMoxifloxacin hydrochloride CRS1-cyclopropyl-6-fluoro-8-methoxy-7-((4aS,7aS)-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochlorideActuraACTIRAMoxifLPROFLOX

CHEBI:7008(4aS-cis)-1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(octahydro-6H-pyrrolol(3,4-b)pyridin-6-yl)-4-oxo-3-quinolinecarboxylic acid, monohydrochlorideAVELOX IN SODIUM CHLORIDE 0.8% IN PLASTIC CONTAINERC53598599TDTXCID20259211-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-((4aS,7aS)-octahydro-6H-pyrrolo(3,4-b)pyridin-6-yl)-4-oxo-3-quinolinecarboxylic acid, monohydrochlorideAvelox Abc PackMoxifloxacin Ophthalmic

データベース識別子

CAS: 186826-86-8
PubChem CID: 101526
DTXSID: DTXSID4045921
ChEMBL: CHEMBL1200735
ChEBI: CHEBI:7008
UNII: C53598599T
EC Number: 641-756-7、947-143-3

物性

構造計算による物性

極性表面積: 82.1 Å²
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: 4
重原子数: 30
形式電荷: 0
複雑度: 727

実験および物理化学的性質

Human Drugs · 3 件

Breast Feeding; Lactation; Milk, Human; Anti-Infective Agents; Antibacterial Agents; Quinolones; Fluoroquinolones

FDA approved drugs -> Active ingredient

Collision Cross Section195 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

物理化学的性質

融点: 324 · Slightly yellow to yellow crystalline powder, mp 324-325°
比旋光度: 25 D · 25D -256° (c = 0.5 in water)
沸点: 636 ℃ · 636℃
闪点: 110 ° · >110°(230°F)
貯蔵温度: 2 · 2-8°C
溶解性: 2 O: · H2O: 可溶5mg/mL、透明 (加温)
外見: 粉
色: 白からベージュ
水溶解度: 水にやや溶けにくい。 DMSOに可溶
BRN: 8377447 · 8377447
主な用途: 法医学と毒物学医薬品（低分子化合物）
InChIKey: IDIIJJHBXUESQI-DFIJPDEKSA-N
SMILES: N1(C2CC2)C2=C(C=C(F)C(N3C[C@]4([H])CCCN[C@]4([H])C3)=C2OC)C(=O)C(C(O)=O)=C1.[H]Cl |&1:12,18,r|
CAS データベース: 186826 · 186826-86-8(CAS DataBase Reference)

化学的性質

化学的特性Light yellow to yellow crystalline powder

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 · 6 件

This chemical does not meet GHS hazard criteria for 1.2% (1 of 84) of reports.

Warning

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 84 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

Hazard Classes and Categories · 2 件

Acute Tox. 4 (97.6%)

Acute Tox. 4 (100%)

毒性情報

Drug Induced Liver Injury · 6 件

Drug Induced Liver Injury Rank (DILIrank 2.0)

Moxifloxacin hydrochloride

vLess-DILI-concern

Adverse reactions

DOI:10.1016/j.drudis.2016.02.015

Effects During Pregnancy and Lactation◉ Summary of Use during Lactation

EPA Human Health Benchmarks for Pharmaceuticals · 6 件

Moxifloxacin hydrochloride

9.3

39.4

The dose of moxifloxacin hydrochloride is 400 mg (orally) once every 24 hours. The duration of therapy depends on the type of infection.

Data used to generate the benchmarks include the following: Lowest Daily Dose (LDD): 400 mg/day, Lowest Therapeutic Dose (LTD): 5.0 mg/kg-day, and Screening Dose: 0.002 mg/kg-day.

5-Feb-21

安全データ

wgk: 2
hazard_class: IRRITANT
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

FDA Pharmacological Classification · 6 件

MOXIFLOXACIN HYDROCHLORIDE

Quinolone Antimicrobial [EPC]; Fluoroquinolone Antibacterial [EPC]; Quinolones [CS]; Fluoroquinolones [CS]

MOXIFLOXACIN OPHTHALMIC

Quinolone Antimicrobial [EPC]; Fluoroquinolones [CS]; Quinolones [CS]; Fluoroquinolone Antibacterial [EPC]

MOXIFLOXACIN OPHTHALMIC SOLUTION

Fluoroquinolone Antibacterial [EPC]; Fluoroquinolones [CS]

MeSH Pharmacological Classification · 2 件

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 · 3 件

説明Moxifioxacin hydrochlodde is one of the two new fluoroquinolonecarboxylic acid antibiotics introduced in 1999 for the treatment of respiratory tract infections such as community-acquired pneumonia, acute exacerbations of bronchitis or acute sinusitis. Moxifloxacin can be synthesized through a 12 step sequence from the classical 4-quinolone-3-carboxylic acid template. Some advantages of Moxifloxacin over Ciprofloxacin, another of Bayer's launched quinolones, have been shown, i.e. an enhanced activity against Gram-positive bacteria (Streptococcus pneumoniae, Clostndium pneumoniae), a favorable pharmacokinetic profile (good tissue penetration and plasma concentrations above MICs) and a lack of phototoxicity (UVA irradiation).

使用Moxifloxacin Hydrochloride is an antibacterial agent that inhibits the activities of Topo II (DNA gyrase) and topoisomerase IV.

一般的な説明Moxifloxacin Hydrochloride is an anti-infectious compound that belongs to the class of fluoroquinolone antibiotics. It is a well-known broad-spectrum antibiotic prescription medicine effective against a variety of Gram-positive and Gram-negative bacteria including the anaerobic type. It is an S,S-isomer with two chiral centers. It works by preventing the activity of various crucial enzymes involved in the replication, transcription, recombination, and repair of deoxyribonucleic acid in the bacteria such as DNA gyrase (topoisomerase II), topoisomerase IV. It finds its application in the treatment of various ocular and respiratory tract infections.

上流・下流製品情報

上流原料

硫酸水素マグネシウムジエトキシド塩化スルフィニルナトリウムフルオリドマロン酸ジエチル酢酸炭酸水素ナトリウム塩化鉄(III)六水和物 4-[4-[4-(ジメチルアミノ)フェニル]-1,3-ブタジエニル]-1-エチルピリジニウム・過塩素酸塩 (2H6)-1,2-エタンジオールオルトぎ酸トリエチル水酸化パラジウム / 炭素

サプライヤー100 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]

Jai Radhe Sales+(91)-(79)-26431096/65255722 · [email protected]

補足説明

定義ChEBI: Moxifloxacin hydrochloride is a hydrochloride comprising equimolar amounts of moxifloxacin and hydrogen chloride. It has a role as an antibacterial drug. It contains a moxifloxacinium(1+).

化合物ノート

読み込み中…

部分構造検索類似構造を探す

基本情報

CAS: 186826-86-8
標準SMILES: COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.Cl
InChIKey: IDIIJJHBXUESQI-DFIJPDEKSA-N
分子式: C21H25ClFN3O4
平均分子量: 437.9 g/mol
単同位体質量: 437.1517621

概要

Moxifloxacin hydrochloride is a hydrochloride comprising equimolar amounts of moxifloxacin and hydrogen chloride. It has a role as an antibacterial drug. It contains a moxifloxacinium(1+).