化工社化工社 化学情報印刷レポート · 研究参考用
塩酸 フェニレフリン
塩酸 フェニレフリン · フェニレフリン·塩酸塩 · (R)-3-ヒドロキシ-α-[(メチルアミノ)メチル]ベンゼンメタノール·塩酸塩 · (-)-フェニレフリン塩酸塩 · l-フェニレフリン塩酸塩 · アルメフリン · ネオシネジン · ネオシネフリン·塩酸
識別子と物理属性
| CAS No. | 61-76-7 |
|---|---|
| 分子式 | C9H13NO2.ClH |
| 平均分子量 | 203.66 g/mol |
| 単同位体質量 | 203.0713064 g/mol |
| SMILES | CNC[C@H](O)c1cccc(O)c1.Cl |
| InChIKey | OCYSGIYOVXAGKQ-FVGYRXGTSA-N |
| PubChem CID | 5284443 |
| ChEMBL | CHEMBL1200339 |
| EC No. | 200-517-3 |
| DTXSID | DTXSID3021142 |
| 現地名 | 塩酸 フェニレフリン |
化学・物理的性質
| 極性表面積 | 52.5 |
|---|---|
| 水素結合供与体数 | 4 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 3 |
| 重原子数 | 13 |
| 形式電荷 | 0 |
| 複雑度 | 130 |
| 溶解度 | greater than or equal to 100 mg/mL at 70 °F (NTP, 1992)水とエタノールに溶けやすい（96%）。>=10 g/100 mL at 21 ºC |
| Human Drugs | Breast FeedingLactationMilk, HumanAdrenergic AgentsAdrenergic Alpha-AgonistsAntiglaucoma AgentsSympathomimeticsVasoconstrictor AgentsNasal DecongestantsFDA approved drugs -> Active ingredient |
| 融点 | 284 to 293 °F (NTP, 1992)143-145 °C(lit.) |
| Physical Description | Phenylephrine hydrochloride is an odorless white microcrystalline powder. Bitter taste. pH (1% aqueous solution) about 5. (NTP, 1992) |
| Collision Cross Section | 133 Ų [M+H-H2O]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| 比旋光度 | -47 º (c=2, H2O) |
| 密度 | 1.2652 g/cm³(Temp: 25 °CPress: 750 Torr) |
| 屈折率 | -45.5 ° (C=1, H2O) |
| 引火点 | 9℃ |
| 貯蔵条件 | 2-8°C |
| 外観・状態 | 結晶性粉末 |
| pKa（酸解離定数） | pK1 8.77pK2 9.84(at 25℃) |
| 色 | 白～ほぼ白 |
| pH | pH (10g/L, 25℃) : 4.5～5.5 |
| Merck | 14,7286 |
| BRN | 4158948 |
| 安定性 | 吸湿性 |
| 主な用途 | 医薬品（低分子化合物） |
| InChI | 1S/C9H13NO2.ClH/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H31H/t9-/m0./s1 |
| InChIKey | OCYSGIYOVXAGKQ-FVGYRXGTSA-N |
| SMILES | OC1=CC([C@H](CNC)O)=CC=C1.Cl |
| LogP（分配係数） | -0.310 |
| CAS データベース | 61-76-7(CAS DataBase Reference) |
| EPAの化学物質情報 | Phenylephrine hydrochloride (61-76-7) |
化学的特性
white to almost white crystalline powder
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 0.3% (1 of 387) of reports.WarningH302 (90.2%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 387 reports by companies from 20 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | REACH registered substance: Phenylephrine hydrochloride (EC: 200-517-3)Phenylephrine 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 - Benzenemethanol, 3-hydroxy-.alpha.-[(methylamino)methyl]-, hydrochloride, (R)-: 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 tremor, insomnia and palpitations. Other symptoms include excessive central nervous system stimulation resulting in excitement and restlessnesstachycardia, hypertension, pallor, mydriasis, hyperglycemia and urinary retention. Severe overdosage may cause tachypnea or hyperpnea, hallucinations, convulsions and delirium. In some cases it may cause central nervous system depression with somnolence, stupor and respiratory depression. Arrhythmias (including ventricular fibrillation) may lead to hypotension and circulatory collapse. Severe hypokalemia can occur. Other symptoms include blanching and a feeling of coolness of the skin, pressor response, anxiety, nervousness, weakness, headache, dizziness and vomiting. It has an adverse effect on intraocular pressure, corneas, conjunctiva and lids. Trembling and perspiration may occur. Exposure to this compound may cause peripheral vasoconstriction, an increase in arterial pressure, reflex bradycardia and a rise in blood pressure Extravasation of the injection may cause tissue necrosis. Exposure may also cause ventricular dysrrhythmias, a sensation of fullness in the head, tingling, irritation, local discomfort at the site of application, cardiac arrhythmia or cardiac arrests, and death. It has caused acute pulmonary edema with associated hypertension in infants. Hypersensitive persons may experience mild stinging (transient). |
| 反応性グループ | Alcohols and Polyols |
| Reactivity Profile | PHENYLEPHRINE HYDROCHLORIDE is incompatible with acids, acid chlorides, acid anhydrides and oxidizing agents. It is also incompatible with butacaine, alkalis and ferric salts. (NTP, 1992) |
| Air and Water Reactions | May be sensitive to prolonged exposure to air and light. Water soluble. |
| Hazard Classes and Categories | Acute Tox. 4 (90.2%) |
| 消火 | Fires involving this chemical can be controlled with 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. |
| 非火災時の漏出対応 | SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| Personal Protective Equipment (PPE) | RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992) |
| Carcinogen Classification | Phenylephrine HydrochlorideTR-322: Toxicology and Carcinogenesis Studies of Phenylephrine Hydrochloride (CASRN 61-76-7) in F344/N Rats and B6C3F1 Mice (Feed Studies) (1987 )03/26/86No Evidence |
| Effects During Pregnancy and Lactation | ◉ Summary of Use during Lactation |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | DO7525000 |
| 輸送番号（UN） | 3249 |
| 毒性 | LD50 in rats (mg/kg): 17 ±1.1 i.p.33 ±2.0 s.c. (Warren, Werner) |
| 税関コード | 29225090 |
| 危険文句（R） | 22-36/37/38-39/23/24/25-23/24/25-11 |
| 危険表示 | Xn,T,F |
| 安全措置（S） | 26-36-37/39-45-36/37-16-7 |
| 危険等級 | 6.1(b)Acute Tox. 4 OralSkin Sens. 1B |
| 包装等級 | III |
| 貯蔵分類 | 11 - Combustible Solids |
用途
解説
(R)-3-hydroxy-α-(methylaminomethyl)benzyl alcohol hydrochloride．C9H13NO2?HCl(203.67)．m-ヒドロキシフェナシルクロリドにメチルアミンを反応させ，ついで接触還元し，光学分割すると得られる．"融点140～145 ℃(遊離塩基は融点169～172 ℃)．[α]20D－46～47°(水)．水，エタノールに可溶，エーテルに難溶．アドレナリン作動血管収縮剤として眼科用に使用され，また散瞳(どう)剤として眼底検査に用いられる．LD50 33 mg/kg(ラット，筋肉)．[CAS 61-76-7]森北出版「化学辞典（第2版）
用途
アドレナリン受容体（α1）に 作用を示します。
用途
アドレナリン受容体（α1）に 作用を示します。
用途
神経化学研究用。
説明
R-(-)-Phenylephrine is an adrenergic α1A receptor agonist (Ki = 1.4 μM) that demonstrates selectivity against the α1B and α1C receptor subtypes (Kis = 23.9 and 47.8 μM, respectively). By stimulating adrenergic α1 receptors, L-phenylephrine can induce aortic smooth muscle contractions, although reported relative affinity and potency values in rabbit are 5-fold weaker compared to that of L-norepinephrine . This compound is frequently used to precontract smooth muscle in preparations designed to study the properties of various vasodilator agents.
使用
(R)-Phenylephrine Hydrochloride is an α-Adrenergic agonist. Mydriatic; decongestant.
一般的な説明
Odorless white microcrystalline powder. Bitter taste. pH (1% aqueous solution) about 5.