識別子と物理属性
| CAS No. | 104534-80-7 |
|---|
| 分子式 | C9H7NO |
|---|
| 平均分子量 | 145.16 g/mol |
|---|
| 単同位体質量 | 145.05276384 g/mol |
|---|
| SMILES | O=c1ccc2ccccc2[nH]1 |
|---|
| InChIKey | LISFMEBWQUVKPJ-UHFFFAOYSA-N |
|---|
| PubChem CID | 6038 |
|---|
| ChEMBL | CHEMBL186422 |
|---|
| ChEBI | CHEBI:16365 |
|---|
| EC No. | 200-420-6 |
|---|
| DTXSID | DTXSID1058769 |
|---|
化学・物理的性質
| XLogP | 1.3 |
|---|
| 極性表面積 | 29.1 |
|---|
| 水素結合供与体数 | 1 |
|---|
| 水素結合受容体数 | 1 |
|---|
| 回転可能結合数 | 0 |
|---|
| 重原子数 | 11 |
|---|
| 形式電荷 | 0 |
|---|
| 複雑度 | 198 |
|---|
| 物質分類 | Nitrogen Compounds -> Quinolines |
|---|
| 医薬品 | Pharmaceuticals -> Listed in ZINC15 |
|---|
| LogP（分配係数） | 1.32 |
|---|
| Physical Description | Light yellow crystalline solid[Sigma-Aldrich MSDS] |
|---|
安全性と法規制
| GHS 分類 | 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] |
|---|
| 規制情報 | Chemical: 2-Quinolinol2(1H)-Quinolinone: Does not have an individual approval but may be used under an appropriate group standard |
|---|
| その他の安全情報 | IMAP assessments - 2-Quinolinol: Human health tier I assessment |
|---|
| 有害性の概要 | An irritant[Sigma-Aldrich MSDS] See Quinoline. |
|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Acute Tox. 4 (92%) |
|---|
| 有害作用 | 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. |
|---|
| 毒性の概要 | 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. |
|---|
| 危険有害性情報 | コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H302 |
|---|
