Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Fleroxacin
AM-833 · QUINODIS · MEGALONE · MEGALOCIN · RO-23-6240 · FLEROXACIN · ro23-6240/000 · Fleroxacin>Erlotinib-d12 HCl
식별자 및 물리적 특성
| CAS No. | 79660-72-3 |
|---|---|
| 분자식 | C17H18F3N3O3 |
| 평균 분자량 | 369.34 g/mol |
| 단동위원소 질량 | 369.1300261 g/mol |
| SMILES | CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)CC1 |
| InChIKey | XBJBPGROQZJDOJ-UHFFFAOYSA-N |
| PubChem CID | 3357 |
| ChEMBL | CHEMBL6273 |
| ChEBI | CHEBI:31810 |
| EC No. | 677-525-2 |
| DTXSID | DTXSID1046714 |
화학 및 물리적 성질
| XLogP | -0.1 |
|---|---|
| 극성 표면적 | 64.1 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 9 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 26 |
| 형식 전하 | 0 |
| 복잡도 | 595 |
| 의약품 | Pharmaceuticals -> AntibioticsPharmaceuticals -> Anti infectives for systemic use -> Antibacterials for systemic usePharmaceuticals -> Listed in ZINC15 |
| LogP(분배 계수) | 0.04 |
| Human Drugs | Pharmaceuticals |
| Dissociation Constants | 8.85.58.2 |
| Collision Cross Section | 189.8 Ų [M+H]+ [CCS Type: TWMethod: calibrated with Waters Major Mix] |
| 녹는점 | 264-266°C |
| 끓는 점 | 535.3±50.0 °C(Predicted) |
| 밀도 | 1.409±0.06 g/cm3(Predicted) |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | 0.1M NaOH: 가용성10mg/mL |
| pKa(산도 계수) | -0.54±0.20(Predicted) |
| 물리적 상태 | 고체 |
| 색상 | 흰색에서 황백색까지 |
| Merck | 14,4099 |
| InChI | InChI=1S/C17H18F3N3O3/c1-21-4-6-22(7-5-21)15-12(19)8-10-14(13(15)20)23(3-2-18)9-11(16(10)24)17(25)26/h8-9H,2-7H2,1H3,(H,25,26) |
| InChIKey | XBJBPGROQZJDOJ-UHFFFAOYSA-N |
| SMILES | N1(CCF)C2=C(C=C(F)C(N3CCN(C)CC3)=C2F)C(=O)C(C(O)=O)=C1 |
화학적 성질
White Needle-Like Crystals
안전 및 규제
| GHS 분류 | WarningH371 (100%): May cause damage to organs [Warning Specific target organ toxicity, single exposure]P260, P264, P270, P308+P316, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | STOT SE 2 (100%) |
| 수질 위해 등급(WGK) | 2 |
| RTECS 번호 | VB1999050 |
| 관세 코드 | 29335990 |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
Fleroxacin is a new, once daily trifluoroquinolone antibacterial structurally related to norfloxacin. Available in both oral and IV formulations, it is reportedly useful in the treatment of gonorrhea, bacterial enteritis, chronic bronchitis and urinary tract infections. Fleroxacin has a longer serum half-life (9-12 hours) than other drugs of this class, such as ciprofloxacin, enoxacin and norfloxacin.