オロパタジン塩酸塩
オロパタジン塩酸塩 · オロパタジン 塩酸塩 · オロパタジン塩酸塩錠 · オロパタジン塩酸塩 (JP17) · オロパタジン塩酸塩錠 (JP17) · アレロック · オロパタジン・塩酸塩 · パタノール
識別子と物理属性
| CAS No. | 140462-76-6 |
|---|---|
| 分子式 | C21H24ClNO3 |
| 平均分子量 | 373.9 g/mol |
| 単同位体質量 | 373.14447131 g/mol |
| SMILES | CN(C)CC/C=C1/c2ccccc2COc2ccc(CC(=O)O)cc21.Cl |
| InChIKey | HVRLZEKDTUEKQH-NOILCQHBSA-N |
| PubChem CID | 5282402 |
| ChEMBL | CHEMBL1719 |
| ChEBI | CHEBI:31933 |
| EC No. | 604-185-4 |
| DTXSID | DTXSID0046486 |
| 現地名 | オロパタジン塩酸塩 |
化学・物理的性質
| 極性表面積 | 49.8 |
|---|---|
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 4 |
| 回転可能結合数 | 5 |
| 重原子数 | 26 |
| 形式電荷 | 0 |
| 複雑度 | 488 |
| Human Drugs | FDA approved drugs -> Active ingredientEMA approved medicines: Human medicine |
| 融点 | 242-245C |
| 貯蔵条件 | Inert atmosphere,Room Temperature |
| 溶解度 | H2O: ≥20mg/mL |
| 外観・状態 | 個体 |
| 色 | White to Light yellow |
| Merck | 14,6840 |
| BCS Class | 3(CLogP), 1 (LogP) |
| InChI | InChI=1S/C21H23NO3.ClH/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24)1H/b18-8- |
| InChIKey | HVRLZEKDTUEKQH-NOILCQHBSA-N |
| SMILES | C(=C1/C2=CC=CC=C2COC2C=CC(CC(=O)O)=CC/1=2)\CCN(C)C.Cl |
| CAS データベース | 140462-76-6(CAS DataBase Reference) |
化学的特性
White Solid
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 4.3% (2 of 47) of reports.DangerH301 (87.2%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (87.2%) |
| 暴露経路 | Ophthalmic use of olopatadine usually does not produce measurable plasma concentrations. |
| 毒性の概要 | Olopatadine is a selective histamine H1 antagonist that binds to the histamine H1 receptor. This blocks the action of endogenous histamine, which subsequently leads to temporary relief of the negative symptoms brought on by histamine. Olopatadine is devoid of effects on alpha-adrenergic, dopamine and muscarinic type 1 and 2 receptors. |
| Signs and Symptoms | Its side effects may include headaches (7% of occurrence) burning and stinging (5%), dry eye, foreign body sensation, hyperemia, keratitis, lid edema, pruritus, asthenia, cold syndrome, pharyngitis, rhinitis, sinusitis, and taste perversion. [Wikipedia] |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
| 水環境危害等級（WGK） | 3 |
| RTECS 番号 | HQ4135060 |
| 輸送番号（UN） | UN 2811 6.1 / PGIII |
| 税関コード | 29329990 |
| 危険文句（R） | 25-50 |
| 危険表示 | T,N |
| 安全措置（S） | 45-61 |
| 危険等級 | Acute Tox. 3 OralAquatic Acute 1 |
| 貯蔵分類 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
用途
説明
Olopatadine hydrochloride is an ophthalmic antihistamine that inhibits release of histamine from mast cells and is a relatively selective histamine H1 antagonist. It inhibits type 1 immediate hypersensitivity reactions. Olopatadine hydrochloride is indicated in the temporary relief of itching caused by allergic conjunctivitis. H1 antagonists have an established and valued place in the symptomatic treatment of various immediate hypersensitivity reactions. In addition, the central properties of some of the series are of therapeutic value for suppressing motion sickness or for sedation.
使用
Olopatadine hydrochloride is a potent, selective antagonist of the H1 histamine receptor (Ki = 16-41.1 nM), with much lower affinities for the H2 and H3 receptors (Ki = 43.4 and 172 μM, respectively). It blocks histamine-induced phosphoinositide turnover in isolated cells (IC50 = 9.5-39.9 nM) and prevents passive cutaneous anaphylaxis in rats (ED50 = 49 μg/kg) and anaphylactic bronchoconstriction in guinea pigs (ID50 = 30 μg/kg). Olopatadine is effective in treating allergic rhinitis and conjunctivitis. It also suppresses itch in patients with well-controlled chronic urticaria. In humans, this antihistamine does not cause cognitive or psychomotor impairment at therapeutic doses.[Cayman Chemical]