塩酸ベンジダミン
ベンジダミン塩酸塩 · N,N-ジメチル-3-[(1-ベンジル-1H-インダゾール-3-イル)オキシ]プロパン-1-アミン·塩酸塩 · ベンジダミン·塩酸塩 · 塩酸ベンジダミン · 1-ベンジル-3-[3-(ジメチルアミノ)プロポキシ]-1H-インダゾール塩酸塩 · ベンジンダミン塩酸塩 · ベンジダミン 塩酸塩 · 塩酸ベンジダミン (JAN)
識別子と物理属性
| CAS No. | 132-69-4 |
|---|---|
| 分子式 | C19H24ClN3O |
| 平均分子量 | 345.9 g/mol |
| 単同位体質量 | 345.16079007 g/mol |
| SMILES | CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12.Cl |
| InChIKey | HNNIWKQLJSNAEQ-UHFFFAOYSA-N |
| PubChem CID | 65464 |
| ChEMBL | CHEMBL1528134 |
| ChEBI | CHEBI:31266 |
| EC No. | 205-076-0 |
| DTXSID | DTXSID1045293 |
| 現地名 | 塩酸ベンジダミン |
化学・物理的性質
| 極性表面積 | 30.3 |
|---|---|
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 7 |
| 重原子数 | 24 |
| 形式電荷 | 0 |
| 複雑度 | 344 |
| 物質分類 | Other Uses -> Pharmaceuticals |
| 溶解度 | 22.5 [ug/mL] (The mean of the results at pH 7.4)クロロホルム（微量）、DMSO（微量）、メタノール（微量）水、エタノール、クロロホルム、n-ブタノール、DMSO/n に可溶 |
| Collision Cross Section | 170.9 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| 融点 | 147-153°C |
| 貯蔵条件 | Inert atmosphere,2-8°C |
| 外観・状態 | Solid |
| 色 | ホワイトからオフホワイト |
| Merck | 14,1122 |
| 主な用途 | 法医学と毒物学医薬品（低分子化合物）獣医 |
| InChI | InChI=1S/C19H23N3O.ClH/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H31H |
| InChIKey | HNNIWKQLJSNAEQ-UHFFFAOYSA-N |
| SMILES | C12C=CC=CC=1C(=NN2CC1C=CC=CC=1)OCCCN(C)C.Cl |
| CAS データベース | 132-69-4(CAS DataBase Reference) |
化学的特性
Off-White Solid
安全性と法規制
| GHS 分類 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 105 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| その他の安全情報 | IMAP assessments - 1-Propanamine, N,N-dimethyl-3-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-, monohydrochloride: Environment tier I assessment |
| 有害性の概要 | Allergic and photoallergic contact dermatitis reported[Kanerva, p. 1757] |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| 有害作用 | Dermatotoxin - PACD (photoallergic contact dermatitis). |
| 水環境危害等級（WGK） | 3 |
| RTECS 番号 | NK7875000 |
| 毒性 | LD50 in mice, rats (mg/kg): 110, 100 i.p.515, 1050 orally (Silvestrini) |
| 税関コード | 2933.99.8290 |
| 危険文句（R） | 20/21/22-36 |
| 危険表示 | Xn |
| 安全措置（S） | 26-36 |
| 危険等級 | Acute Tox. 4 OralEye Irrit. 2 |
| 貯蔵分類 | 11 - Combustible Solids |
用途
説明
Benzydamine hydrochloride is a non-steroidal antiinflammatory drug used both topically and systemically. It has been reported as a sensitizer and a photosensitizer and caused occupational contact dermatitis in a nurse.
使用
Benzydamine hydrochloride is an anti-in-flammatory drug used extensively in Europe and recently introduced in Canada to help re duce painful mucositis. Benzydamine provides short-term topical anesthesia and extended pain relief apparently through its anti-inflammatory properties. Studies have shown it to be effective in a range of painful conditions, including aphthous ulceration, chemotherapy-induced mucositis, and radiation-induced mucositis.