フェノキシベンズアミン塩酸塩
フェノキシベンズアミン塩酸塩 · N-(2-クロロエチル)-N-(1-メチル-2-フェノキシエチル)ベンゼンメタンアミン·塩酸塩 · ジベンジリン塩酸塩 · フェノキシベンザミン塩酸塩 · ジベニリン塩酸塩 · N-(2-クロロエチル)-N-(1-メチル-2-フェノキシエチル)ベンジルアミン·塩酸塩 · 塩酸フェノキシベンザミン · フェノキシベンザミンヒドロクロリド
識別子と物理属性
| CAS No. | 63-92-3 |
|---|---|
| 分子式 | C18H22ClNO.ClH |
| 平均分子量 | 340.3 g/mol |
| 単同位体質量 | 339.1156697 g/mol |
| SMILES | CC(COc1ccccc1)N(CCCl)Cc1ccccc1.Cl |
| InChIKey | VBCPVIWPDJVHAN-UHFFFAOYSA-N |
| PubChem CID | 5284441 |
| ChEMBL | CHEMBL1200787 |
| ChEBI | CHEBI:8078 |
| EC No. | 200-569-7 |
| DTXSID | DTXSID0021127 |
| 現地名 | フェノキシベンズアミン塩酸塩 |
化学・物理的性質
| 極性表面積 | 12.5 |
|---|---|
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 8 |
| 重原子数 | 22 |
| 形式電荷 | 0 |
| 複雑度 | 262 |
| 溶解度 | less than 0.1 mg/mL at 65.3 °F (NTP, 1992)45.8 [ug/mL] (The mean of the results at pH 7.4)エタノール、DMSO、ジメチルホルムアミド（DMF）などの有機溶媒に可溶。<0.01 g/100 mL で 18.5 ºC |
| Human Drugs | FDA approved drugs -> Active ingredient |
| 融点 | 280 to 284 °F (NTP, 1992)137.5°C |
| Physical Description | Phenoxybenzamine hydrochloride is a white crystalline powder. Melting point 137.5-140 °C. Used as an antihypertensive drug. |
| Collision Cross Section | 194.2 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| 貯蔵条件 | 15-25°C |
| pKa（酸解離定数） | pKa 4.4 (Uncertain) |
| 外観・状態 | 粉 |
| 色 | 白い |
| Merck | 14,7256 |
| 安定性 | DMSO溶液またはエタノール溶液で-20°Cで最大3か月保存できます。 |
| InChI | 1S/C18H22ClNO.ClH/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3 |
| InChIKey | VBCPVIWPDJVHAN-UHFFFAOYSA-N |
| SMILES | Cl[H].CC(COc1ccccc1)N(CCCl)Cc2ccccc2 |
| CAS データベース | 63-92-3(CAS DataBase Reference) |
| EPAの化学物質情報 | N-(2-Chloroethyl)-N-(1-methyl-2-phenoxyethyl)benzylamine hydrochloride (63-92-3) |
化学的特性
white crystalline solid or powder. Odorless. soluble in ethanol, chloroform, propylene glycol, slightly soluble in benzene, slightly soluble in cold water. The melting point of its free base is 38-40 ° C, and it is soluble in benzene.
安全性と法規制
| GHS 分類 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.DangerH350: May cause cancer [Danger Carcinogenicity] |
|---|---|
| 規制情報 | Hazard Traits - CarcinogenicityBenzenemethanamine, N-(2-chloroethyl)-N-(1-methyl-2-phenoxyethyl)-, hydrochloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| その他の安全情報 | IMAP assessments - Benzenemethanamine, N-(2-chloroethyl)-N-(1-methyl-2-phenoxyethyl)-, hydrochloride: Human health tier I assessment |
| 火災危険 | Flash point data are not available for this chemical, but it is probably combustible. (NTP, 1992) |
| 健康有害性 | SYMPTOMS: Symptoms of exposure to this compound include nasal congestion, miosis, postural hypotension, tachycardia, gastrointestinal irritation, drowsiness and fatigue. |
| 反応性グループ | Ethers |
| Air and Water Reactions | Light sensitive and may be sensitive to exposure to air (NTP, 1992). Insoluble in water. |
| Hazard Classes and Categories | Acute Tox. 4 (100%)Acute toxicity (Oral) - Category 5Carcinogenicity - Category 1B |
| 消火 | Fires involving this compound should be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| 応急処置 | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
用途
説明
Phenoxybenzamine hydrochloride (dibenzyline) is an orally effective, long-acting non-selective (alpha1 and alpha2) alpha-adrenoceptor blocking agent. It is used for the control of episodes of hypertension associated withpheochromocytoma. It literally produces a "chemical sympathectomy". It increases blood flow to the skin, mucosa and abdominal viscera, and lowers both supine and erect blood pressures. It has no effect on the parasympathetic system. The initialdose is 10 mg/day, increased by 10 mg every 4 days till the desired response is attained.The usual dosage range is 20-60mg/day.
使用
Phenoxybenzamine (5.0 to 60.0 mg/day) is used in order to control episodes of hypertension and sweating, it has a relatively slow onset and prolonged effect when compared to alternative α-blockers. If tachycardia is excessive, it may also be necessary to use a betablocker concomitantly. In addition, phenoxybenzamine has been tested for its efficacy in micturition disorders resulting from neurogenic bladder, functional outlet obstruction, and partial prostatic obstruction.
一般的な説明
Phenoxybenzamine hydrochloride is a white crystalline powder. Melting point 137.5-140°C. Used as an antihypertensive drug.