Roxithromycin
Roxid · Rulid · Roxithromycin (Roxl-150) · Roxithromycin Solution, 100ppm · Brilid · Overal · RU 965 · Surlid
식별자 및 물리적 특성
| CAS No. | 80214-83-1 |
|---|---|
| 분자식 | C41H76N2O15 |
| 평균 분자량 | 837 g/mol |
| 단동위원소 질량 | 836.52456972 g/mol |
| SMILES | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O |
| InChIKey | RXZBMPWDPOLZGW-XMRMVWPWSA-N |
| PubChem CID | 6915744 |
| ChEMBL | CHEMBL1214185 |
| ChEBI | CHEBI:48844 |
| EC No. | 617-007-5 |
화학 및 물리적 성질
| XLogP | 3.1 |
|---|---|
| 극성 표면적 | 217 |
| 수소 결합 공여자 수 | 5 |
| 수소 결합 수용자 수 | 17 |
| 회전 가능 결합 수 | 13 |
| 무거운 원자 수 | 58 |
| 형식 전하 | 0 |
| 복잡도 | 1,310 |
| 의약품 | Pharmaceuticals -> AntibioticsPharmaceuticals -> Listed in ZINC15 |
| LogP(분배 계수) | 3.46 |
| Human Drugs | Breast FeedingLactationAnti-Bacterial AgentsAnti-Infective AgentsMacrolides |
| Dissociation Constants | 9.27 |
| Collision Cross Section | 285.66 Ų [M+Na]+ |
| 녹는점 | 111-118C |
| 끓는 점 | 864.7±75.0 °C(Predicted) |
| 밀도 | 1.25±0.1 g/cm3(Predicted) |
| 인화점 | >110°(230°F) |
| 저장 조건 | Sealed in dry,2-8°C |
| 용해도 | 클로로포름: 가용성10mg/mL |
| pKa(산도 계수) | pKa 9.27±0.01(H2O t = 25.0 I = 0.15 (KCl)) (Uncertain) |
| 물리적 상태 | 가루 |
| 색상 | White to off-white |
| 용해도 | 수용성 18µg/ml |
| Merck | 14,8276 |
| 주요 응용 | 의약품(소분자) |
| InChIKey | RXZBMPWDPOLZGW-HEWSMUCTSA-N |
| SMILES | CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC3OC(C)CC(C3O)N(C)C)C(C)(O)CC(C)C(=N/OCOCCOC)\C(C)C(O)C1(C)O |
| EPA | Erythromycin, 9-[O-[(2-methoxyethoxy)methyl]oxime], (9E)- (80214-83-1) |
화학적 성질
White Solid
안전 및 규제
| GHS 분류 | WarningH302 (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 67 reports by companies from 2 notifications to the ECHA C&L Inventory.DangerH302: Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| 규제 정보 | Roxithromycin: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (100%)Acute toxicity (Oral) - Category 4 |
| Drug Induced Liver Injury | Drug-Induced Liver Injury Severity and Toxicity (DILIst)ROXITHROMYCINDILI PositiveDOI:10.1016/j.drudis.2019.09.022 |
| Effects During Pregnancy and Lactation | ◉ Summary of Use during Lactation |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | KF4990000 |
| 관세 코드 | 29415000 |
| 위험 문구(R) | 22 |
| 위험 표시 | Xn |
| 안전 문구(S) | 26-24/25 |
| 위험 등급 | Acute Tox. 4 Oral |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
Roxithromycin, an oxime ether derivative of erythromycin, is a new macrolide antibiotic of high potency and long duration. Its in v i m activity spectrum is similar to that of erythromycin, but is superior to the latter against Legionella, Mycoplasma and Chlamydia.
용도
Roxithromycin was one of the new generation erythromycins introduced in the 1980s. Improved acid stability was achieved by converting the 9-keto group to the more stable oxime and alkylation of the oxime to provide the methoxyethoxymethyl ether oxime. In vivo, roxithromycin exhibits higher tissue levels and a longer half-life while being slightly less potent than erythromycin in vitro.