기본 정보
- CAS
186826-86-8- 표준 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- 분자식
- C21H25ClFN3O4
- 평균 분자량
- 437.9 g/mol
- 단동위원소 질량
- 437.1517621
개요
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+).
이름 및 식별자
- 우선 이름
- 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
- 영어명
- Moxifloxacin hydrochloride
- 분자식
- C21H25ClFN3O4
- 분자량
- 437.8923032
이름 및 동의어
Moxifloxacin hydrochloride186826-86-8Moxifloxacin HClVigamoxBAY 12-8039MoxivigDTXSID4045921Bay-12-8039MoxezaMoxifloxacin (as hydrochloride)AL-15469ANSC-758875
이름 더 보기
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
데이터베이스 식별자
- CAS
186826-86-8- PubChem CID
- 101526
물성
구조 계산 물성
- 극성 표면적
- 82.1 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 727
실험 및 물리화학적 성질
Human Drugs
Breast Feeding; Lactation; Milk, Human; Anti-Infective Agents; Antibacterial Agents; Quinolones; Fluoroquinolones
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Collision Cross Section195 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 녹는점
- 324 · Slightly yellow to yellow crystalline powder, mp 324-325°
- 끓는 점
- 636 ℃ · 636℃
- 인화점
- 110 ° · >110°(230°F)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 2 O: · H2O: 용해성5mg/mL, 투명(따뜻한)
- 물리적 상태
- 가루
- 색상
- 흰색에서 베이지색
- 수용성
- 물에 거의 용해되지 않습니다. DMSO에 용해됨
- BRN
- 8377447 · 8377447
- 주요 응용
- 법의학 및 독성학의약품(소분자)
- 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|
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 1.2% (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
유해성 정보
Hazard Classes and Categories
Acute Tox. 4 (97.6%)
Acute Tox. 4 (100%)
독성 정보
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Moxifloxacin hydrochloride
vLess-DILI-concern
8
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
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
안전 데이터
화학 및 산업
약리 정보
FDA Pharmacological Classification
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
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.
응용 분야
개요Moxifioxacin 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).
용도Moxifloxacin Hydrochloride is an antibacterial agent that inhibits the activities of Topo II (DNA gyrase) and topoisomerase IV.
일반 설명Moxifloxacin 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.
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