기본 정보
- CAS
98079-52-8- 표준 SMILES
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21.Cl- InChIKey
KXEBLAPZMOQCKO-UHFFFAOYSA-N- 분자식
- C17H20ClF2N3O3
- 평균 분자량
- 387.8 g/mol
- 단동위원소 질량
- 387.1161255
개요
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.
이름 및 식별자
- 우선 이름
- Lomefloxacin Hydrochloride
- IUPAC
- 1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrochloride
- 현지명
- 로메플록사신염산염
- 영어명
- Lomefloxacin hydrochloride
- 분자식
- C17H20ClF2N3O3
- 분자량
- 387.81
이름 및 동의어
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
이름 더 보기
로메플록사신염산염1-Ethyl-6,8-difluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid hydrochlorideny198omefLOkacinChimonoUniquinLoMflox
Lomefloxacin (as hydrochloride)CHEBI:6518DTXCID0025527(+-)-1-Ethyl-6,8-difluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid, monohydrochlorideRefChem:56494MaxaquinBareonOkacyn
데이터베이스 식별자
- CAS
98079-52-8- PubChem CID
- 68624
- DTXSID
물성
구조 계산 물성
- 극성 표면적
- 72.9 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 585
실험 및 물리화학적 성질
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]
물리화학적 성질
- 녹는점
- 290 · 290-3000C
- 저장 조건
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- 용해도
- 1 M · 1M NaOH: 용해성50mg/mL
- 물리적 상태
- powder to crystal
- 색상
- 흰색에서 황백색까지
- 생물학적 소스
- 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
화학적 성질
White powder with no smell, bitter taste
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
독성 정보
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
안전 데이터
- wgk
- 3
- rtecs
- VB1997500
- HS 번호
- 29339900
- risk_code
- 22
- hazard_code
- Xn
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
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
개요Lomefloxacin 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.
용도Fluorinated quinolone antibacterial. DNA gyrase antagonist
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