엔옥사신
엔옥사신 · 엔옥사신(ENOXACIN) · Penetrex · 1-ETHYL-6-FLUORO-1,4-DIHYDRO-4-OXO-7-[1-PIPERAZINYL]-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID · ENX · ci919 · enoram · Abenox
식별자 및 물리적 특성
| CAS No. | 74011-58-8 |
|---|---|
| 분자식 | C15H17FN4O3 |
| 평균 분자량 | 320.32 g/mol |
| 단동위원소 질량 | 320.12846862 g/mol |
| SMILES | CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21 |
| InChIKey | IDYZIJYBMGIQMJ-UHFFFAOYSA-N |
| PubChem CID | 3229 |
| ChEMBL | CHEMBL826 |
| ChEBI | CHEBI:157175 |
| EC No. | 961-175-5 |
| DTXSID | DTXSID5022984 |
| 현지명 | 엔옥사신 |
화학 및 물리적 성질
| XLogP | -0.2 |
|---|---|
| 극성 표면적 | 85.8 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 8 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 23 |
| 형식 전하 | 0 |
| 복잡도 | 521 |
| 의약품 | Pharmaceuticals -> AntibioticsPharmaceuticals -> Listed in ZINC15Pharmaceuticals -> Anti infectives for systemic use -> Antibacterials for systemic use |
| LogP(분배 계수) | 2.3 |
| 용해도 | 1.09e+00 g/LDMSO(약간 용해됨), 메탄올(약간 용해됨) |
| Human Drugs | Breast FeedingLactationMilk, HumanAnti-Infective AgentsAntibacterial AgentsQuinolonesFluoroquinolonesFDA approved drugs -> Active ingredient |
| 녹는점 | 220-224 °C220 - 224 °C220-224 C |
| Physical Description | Solid |
| Collision Cross Section | 184.7 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]185 Ų [M+Na]+ [CCS Type: TWMethod: calibrated with Waters Major Mix] |
| 끓는 점 | 569.9±50.0 °C(Predicted) |
| 밀도 | 1.2931 (estimate) |
| 저장 조건 | 2-8°C |
| pKa(산도 계수) | 6.04±0.70(Predicted) |
| 물리적 상태 | 고체 |
| 색상 | 황백색에서 연한 노란색 |
| 용해도 | 1 M NaOH의 50 mg/ml 수산화나트륨, 디메틸 설폭사이드, 클로로포름 및 메탄올에 약간 용해됩니다. 물에 불용성. |
| InChI | InChI=1S/C15H17FN4O3/c1-2-19-8-10(15(22)23)12(21)9-7-11(16)14(18-13(9)19)20-5-3-17-4-6-20/h7-8,17H,2-6H2,1H3,(H,22,23) |
| InChIKey | IDYZIJYBMGIQMJ-UHFFFAOYSA-N |
| SMILES | N1(CC)C2C(=CC(F)=C(N3CCNCC3)N=2)C(=O)C(C(O)=O)=C1 |
화학적 성질
Off-White to Pale Yellow Solid
안전 및 규제
| GHS 분류 | Not Classified |
|---|---|
| Hazard Classes and Categories | Not Classified |
| Effects During Pregnancy and Lactation | ◉ Summary of Use during Lactation |
| 수질 위해 등급(WGK) | 2 |
| RTECS 번호 | QN2800000 |
| 독성 | LD50 in male, female mice, male, female rats (mg/kg): 327, 391, 236, 294 i.v.1237, 1320, >2000, >2000 s.c.all >5000 orally (Senda) |
| 관세 코드 | 29335995 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36/37 |
| 기존화학 물질 | KE-13707 |
용도
개요
Enoxacin is a broad spectrum, quinolone-class, antibacterial agent closely related structurally to nalidixic acid. The serum half-life (6.2 hrs.) and urinary recovery (70%) are considerably greater than for other newer agents of this class, such as norfloxacin (10) and earlier mentioned ciprofloxacin.
용도
Enoxacin is an antibacterial agent used in the treatment of gastro enteritis including infectious diarrhea, respiratory tract infections, gonorrhea and urinary tract infections. It is a bactericidal and its mode of action depends on blocking of bacterial DNA replication by binding itself to an enzyme called DNA gyrase.