식별자 및 물리적 특성
| CAS No. | 104534-80-7 |
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| 분자식 | C9H7NO |
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| 평균 분자량 | 145.16 g/mol |
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| 단동위원소 질량 | 145.05276384 g/mol |
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| SMILES | O=c1ccc2ccccc2[nH]1 |
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| InChIKey | LISFMEBWQUVKPJ-UHFFFAOYSA-N |
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| PubChem CID | 6038 |
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| ChEMBL | CHEMBL186422 |
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| ChEBI | CHEBI:16365 |
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| EC No. | 200-420-6 |
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| DTXSID | DTXSID1058769 |
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화학 및 물리적 성질
| XLogP | 1.3 |
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| 극성 표면적 | 29.1 |
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| 수소 결합 공여자 수 | 1 |
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| 수소 결합 수용자 수 | 1 |
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| 회전 가능 결합 수 | 0 |
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| 무거운 원자 수 | 11 |
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| 형식 전하 | 0 |
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| 복잡도 | 198 |
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| 물질 분류 | Nitrogen Compounds -> Quinolines |
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| 의약품 | Pharmaceuticals -> Listed in ZINC15 |
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| LogP(분배 계수) | 1.32 |
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| Physical Description | Light yellow crystalline solid[Sigma-Aldrich MSDS] |
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안전 및 규제
| GHS 분류 | DangerH302 (92%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 75 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
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| 규제 정보 | Chemical: 2-Quinolinol2(1H)-Quinolinone: Does not have an individual approval but may be used under an appropriate group standard |
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| 기타 안전 정보 | IMAP assessments - 2-Quinolinol: Human health tier I assessment |
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| 유해성 요약 | An irritant[Sigma-Aldrich MSDS] See Quinoline. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%)Acute Tox. 4 (92%) |
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| 유해 작용 | The most common reported adverse effects of quinolones include gastrointestinal events such as nausea, vomiting, and diarrhea. Antibiotic-associated colitis is a common sequela of quinolone use due to its effect on the gut flora. The use of quinolones may result in higher rates of clostridium difficile infection compared to other antibiotics. Arthralgias are also a common adverse effect, especially in the pediatric population, and self-resolve after discontinuing therapy. Some patients may also experience serious anaphylactic and skin reactions, ranging from a minor rash and/or photosensitivity to Stevens-Johnson syndrome or toxic epidermal necrolysis. |
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| 독성 요약 | If a patient begins to display signs of potential tendinitis or tendon rupture, the recommendation is to immediately discontinue the quinolone and avoid using the affected joint. Such signs can include tendon pain, swelling, or inflammation. It is also recommended to discontinue quinolones and initiate immediate supportive measures in cases with serious adverse events, including Stevens-Johnson syndrome, toxic epidermal necrolysis, hepatotoxicity, and anaphylaxis. |
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| 신호 어 | Warning |
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| 유해·위험 문구 | 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302 |
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