化工社化工社 化学情報印刷レポート · 研究参考用
ロピバカイン塩酸塩
ロピバカイン塩酸塩 · ROPIVACAINE HCL · S-ROPIVACAINE HCL · Ropivacaine mesilate · Ropivacaine hydrochl · Ropivacaine hydrochloride · ROPIVCACAINE HYDROCHLORIDE · Ropivacaine HCl (anhydrous)
識別子と物理属性
| CAS No. | 98717-15-8 |
|---|---|
| 分子式 | C17H27ClN2O |
| 平均分子量 | 310.9 g/mol |
| 単同位体質量 | 310.1811912 g/mol |
| SMILES | CCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C.Cl |
| InChIKey | NDNSIBYYUOEUSV-RSAXXLAASA-N |
| PubChem CID | 175804 |
| ChEMBL | CHEMBL1889140 |
| EC No. | 691-259-4 |
| DTXSID | DTXSID2048379 |
| 現地名 | ロピバカイン塩酸塩 |
化学・物理的性質
| 極性表面積 | 32.3 |
|---|---|
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 4 |
| 重原子数 | 21 |
| 形式電荷 | 0 |
| 複雑度 | 308 |
| 融点 | 260-262° |
| 比旋光度 | D25 -6.6° (c = 2 in water) |
| 貯蔵条件 | Store at -20°C |
| 外観・状態 | Solid |
| 色 | White to off-white |
| 溶解度 | ≥ 10.1mg/mL in Water |
| 主な用途 | 医薬品低分子化合物 |
| InChI | InChI=1S/C17H26N2O.ClH/c1-4-11-19-12-6-5-10-15(19)17(20)18-16-13(2)8-7-9-14(16)3/h7-9,15H,4-6,10-12H2,1-3H3,(H,18,20)1H |
| InChIKey | NDNSIBYYUOEUSV-UHFFFAOYSA-N |
| SMILES | N1(CCC)CCCCC1C(NC1=C(C)C=CC=C1C)=O.[H]Cl |
| CAS データベース | 98717-15-8(CAS DataBase Reference) |
安全性と法規制
| GHS 分類 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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. |
|---|---|
| 水環境危害等級（WGK） | WGK 3 |
| 危険等級 | Eye Dam. 1 |
| 貯蔵分類 | 13 - Non Combustible Solids |
用途
使用
anesthetic