ジフェンヒドラミン 塩酸塩
ジフェンヒドラミン 塩酸塩 · 塩酸ジフェンヒドラミン · ジメドロール · ベナ · ジフェンヒドラミン塩酸塩 · N,N-ジメチル-2-(ジフェニルメトキシ)エタンアミン·塩酸塩 · 2-(α-フェニルベンジルオキシ)エチルジメチルアミン·塩酸塩 · レスタミン
識別子と物理属性
| CAS No. | 147-24-0 |
|---|---|
| 分子式 | C17H21NO.ClH |
| 平均分子量 | 291.8 g/mol |
| 単同位体質量 | 291.138992 g/mol |
| SMILES | CN(C)CCOC(c1ccccc1)c1ccccc1.Cl |
| InChIKey | PCHPORCSPXIHLZ-UHFFFAOYSA-N |
| PubChem CID | 8980 |
| ChEMBL | CHEMBL1620 |
| EC No. | 205-687-2 |
| DTXSID | DTXSID4020537 |
| 現地名 | ジフェンヒドラミン 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 | 6 |
| 重原子数 | 20 |
| 形式電荷 | 0 |
| 複雑度 | 211 |
| 物質分類 | Pharmaceutical |
| 溶解度 | greater than or equal to 100 mg/mL at 70.7 °F (NTP, 1992)>43.8 [ug/mL] (The mean of the results at pH 7.4)水に非常に溶けやすく、アルコールに溶けやすい。1000g/L |
| Human Drugs | Breast FeedingLactationMilk, HumanAntihistaminesFDA approved drugs -> Active ingredient |
| 融点 | 331 to 338 °F (NTP, 1992)168-172 °C |
| Physical Description | Diphenhydramine hydrochloride appears as white or almost-white crystalline powder. Odorless with a bitter numbing taste. pH (5% aqueous solution) 4-6. (NTP, 1992) |
| Collision Cross Section | 162.7 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| 沸点 | 163-167 °C(Press: 3 Torr) |
| 密度 | 1.0489 (rough estimate) |
| 屈折率 | 1.5800 (estimate) |
| 引火点 | 9℃ |
| 貯蔵条件 | 2-8°C |
| 外観・状態 | 結晶性粉末または付着結晶 |
| 色 | 白い |
| pH | pH(100g/L, 25℃) 4.0～5.5 |
| Merck | 14,3309 |
| 安定性 | 安定していますが、光の中でゆっくりと暗くなります。強力な酸化剤とは相容れない。 |
| 化粧品成分の機能 | ヘアコンディショニングスキンコンディショニング |
| InChI | 1S/C17H21NO.ClH/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H31H |
| InChIKey | PCHPORCSPXIHLZ-UHFFFAOYSA-N |
| SMILES | Cl[H].CN(C)CCOC(c1ccccc1)c2ccccc2 |
| LogP（分配係数） | 3.662 (est) |
| CAS データベース | 147-24-0(CAS DataBase Reference) |
| NISTの化学物質情報 | diphenhydramine hydrochloride(147-24-0) |
| EPAの化学物質情報 | Diphenhydramine hydrochloride (147-24-0) |
化学的特性
White or almost white, crystalline powder. odorless and has a bitter, numbing taste. soluble in water and in alcohol.
安全性と法規制
| GHS 分類 | WarningH302 (99.1%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 221 reports by companies from 7 notifications to the ECHA C&L Inventory.DangerH302: Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| 規制情報 | Diphenhydramine hydrochloride: 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 - Ethanamine, 2-(diphenylmethoxy)-N,N-dimethyl-, hydrochloride: Environment tier I assessment |
| 火災危険 | Flash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992) |
| 健康有害性 | SYMPTOMS: Symptoms of exposure to this compound may include photosensitivity, hypotension, headache, hemolytic anemia, dizziness, disturbed coordination, nervousness, tremor, insomnia, blurred vision, tinnitus, epigastric distress, nausea, vomiting, diarrhea, constipation and tightness of the chest. Other symptoms may include anaphylactic shock, fatigue, confusion, restlessness, euphoria, diplopia, urinary frequency, drowsiness, urticaria, drug rash, excessive perspiration, chills, dryness of the mouth, nose and throat, palpitations, tachycardia, extrasystoles, thrombocytopenia, agranulocytosis, sedation, excitation, irritability, paresthesia, acute labyrinthitis, neuritis convulsions, anorexia, difficult urination, urinary retention, early menses, thickening of bronchial secretions, wheezing and nasal stuffiness. Other symptoms may include inability to concentrate, muscular weakness, nightmares, difficulty in micturition, elation, depression, hyperpyrexia, muscle twitching lassitude, tingling, heaviness, and weakness of hands. Overdosage reactions may include atropine-like symptoms, dry mouth, fixed and dilated pupils, flushing, gastrointestinal symptoms, central nervous system depression to stimulation, hallucinations, convulsions and death. |
| 反応性グループ | Ethers |
| Reactivity Profile | DIPHENHYDRAMINE HYDROCHLORIDE gives acidic solutions in water. Neutralizes bases. May react with strong oxidizing and strong reducing agents. May catalyze organic reactions. Slowly darkens on exposure to light. |
| Air and Water Reactions |
用途
用途
神経化学研究用。
用途
ジフェンヒドラミン誘導体で す。抗ヒスタミン作用及びケミカルメディ エーター遊離抑制作用を示します。
用途
抗アレルギー剤、抗ヒスタミン剤
説明
Diphenhydramine is most commonly used as a first-generation antihistamine and is globally marketed in various brand formulations (Benadryl®, Unisom®, Tylenol®, Zzzquil®). It competitively blocks H1 receptors, thereby preventing the actions of histamine on bronchial smooth muscle, capillaries, and gastrointestinal (GI) smooth muscle. This prevents histamine-induced bronchoconstriction, vasodilation, increased capillary permeability, and GI smooth muscle spasms. Diphenhydramine exhibits anti-tussive, antiemetic, sedative, anti-allergic, and anticholinergic activities.
使用
Diphenhydramine is a H1-histamine receptor antagonist with anticholinergic (drying) and sedative side effects. It is categorized as an antihistaminic; sedative, hypnotic, treatment of allergic. It is used to treat allergy and cold symptoms such as sneezing, runny nose, watery eyes, urticaria (hives), skin rash, and pruritus (itchy skin).
一般的な説明
Diphenhydramine hydrochloride(Benadryl), is an oily, lipid-soluble free base available as the bitter-tasting hydrochloride salt, which is a stable, White or almost-white crystalline powder. Odorless with a bitter numbing taste. soluble in water (1:1), alcohol (1:2) and chloroform (1:2). The salt has a pKa value of 9, and a 1% aqueous solution has a pH of about 5.
製法・合成法
製造方法
Diphenhydramine Hydrochloride synthesis is a four-step sequence starting with a Grignard reaction. Synthesis of Diphenhydramine Hydrochloride 6.A) modified synthetic route to diphenhydramine hydrochloride.B) Sequence of unit operations required for the synthesis. The dotted boxes denote the four stages of the synthesis. DMAE: dimethylaminoethanol.Organic synthesis in a modular robotic system driven by a chemical programming language