酸トリプロリジン 一水和物
酸トリプロリジン 一水和物 · トリプロリジン 塩酸塩 · トリプロリジン塩酸塩水和物 · トリプロリジン塩酸塩水和物 (JAN) · 2-[(E)-3-(1-ピロリジニル)-1-(p-トリル)-1-プロペニル]ピリジン・塩酸塩・水和物 · TRIPROLIDINE HCL MONOHYDRATE · rate,stereoisomer · TRIPROLIDINE HCL USP
識別子と物理属性
| CAS No. | 6138-79-0 |
|---|---|
| 分子式 | C19H22N2.ClH.H2O |
| 平均分子量 | 332.9 g/mol |
| 単同位体質量 | 332.1655411 g/mol |
| SMILES | Cc1ccc(/C(=C\CN2CCCC2)c2ccccn2)cc1.Cl.O |
| InChIKey | CUZMOIXUFHOLLN-UMVVUDSKSA-N |
| PubChem CID | 5284472 |
| ChEMBL | CHEMBL3188034 |
| ChEBI | CHEBI:32265 |
| EC No. | 627-740-2 |
| DTXSID | DTXSID0021410 |
| 現地名 | 酸トリプロリジン 一水和物 |
化学・物理的性質
| 極性表面積 | 17.1 |
|---|---|
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 4 |
| 重原子数 | 23 |
| 形式電荷 | 0 |
| 複雑度 | 335 |
| 溶解度 | greater than or equal to 100 mg/mL at 68 °F (NTP, 1992)アルコール: 1.5 の溶剤に可溶1>=10 g/100 mL at 20 ºC |
| 融点 | 239 to 248 °F (NTP, 1992)115-120°C |
| Physical Description | Triprolidine hydrochloride monohydrate is an odorless white crystalline powder. Bitter taste. (NTP, 1992) |
| 貯蔵条件 | 2-8°C |
| 外観・状態 | Solid |
| 色 | ホワイトからオフホワイト |
| Merck | 13,9817 |
| 安定性 | 安定ですが、光で変色します。強力な酸化剤とは相容れない。 |
| InChI | InChI=1S/C19H22N2.ClH/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H31H/b18-11+ |
| InChIKey | WYUYEJNGHIOFOC-NWBUNABESA-N |
| SMILES | C(=C/CN1CCCC1)(\C1=NC=CC=C1)/C1C=CC(C)=CC=1.Cl |
| LogP（分配係数） | 4.223 (est) |
| CAS データベース | 6138-79-0(CAS DataBase Reference) |
| EPAの化学物質情報 | Pyridine, 2-[1-(4-methylphenyl)-3-(1-pyrrolidinyl)-1-propenyl]-, monohydrochloride, monohydrate, (E)- (6138-79-0) |
化学的特性
TRIPROLIDINE HYDROCHLORIDE is a white, crystalline powder.
安全性と法規制
| GHS 分類 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 96 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Pyridine, 2-(1E)-1-(4-methylphenyl)-3-(1-pyrrolidinyl)-1-propenyl-, monohydrochloride, monohydrate: 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 - Pyridine, 2-[1-(4-methylphenyl)-3-(1-pyrrolidinyl)-1-propenyl]-, monohydrochloride, monohydrate, (E)-: 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 depression to stimulation of the central nervous system, dry mouth, fixed dilated pupils, flushing, hallucinations, convulsions, urinary retention, cardiac arrhythmias and coma. Other symptoms may include excitability, drowsiness, nervousness, dizziness, high fever and sleeplessness. It can also cause sedation. It may also cause local anesthesia, dryness of the throat and nose and abdominal pain with vomiting or diarrhea. (NTP, 1992) |
| 反応性グループ | Amines, Phosphines, and Pyridines |
| Reactivity Profile | TRIPROLIDINE HYDROCHLORIDE MONOHYDRATE discolors on exposure to light. It is an acidic salt and can neutralize bases. These neutralizations generate heat, but less or far less than is generated by neutralization of inorganic acids, inorganic oxoacids, and carboxylic acid. They usually do not react as either oxidizing agents or reducing agents but such behavior is not impossible. Many of these compounds catalyze organic reactions. |
| Air and Water Reactions | Water soluble. |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| 消火 | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
用途
使用
TRIPROLIDINE HYDROCHLORIDE is used as bulk pharmaceutical (antihistaminic). Product Data Sheet
一般的な説明
Triprolidine hydrochloride,(E)-2-[3-(1-pyrrolidinyl)-1-p-tolylpropenyl]pyridine monohydrochloridemonohydrate (Actidil), is a white crystalline powder with a slight, but unpleasant, odor. It is soluble inwater and in alcohol, and its solutions are alkaline to litmus.The antihistaminic activity is confined mainly to the geometricisomer in which the pyrrolidinomethyl group is transto the 2-pyridyl group. Pharmacological studies confirm thehigh activity of triprolidine and the superiority of (E) overcorresponding (Z) isomers as H1-antihistamines. At guineapig ileum sites, the affinity of triprolidine for H-receptorswas more than 1,000 times the affinity of its (Z) diasteromer.The relative potency of triprolidine is of the same orderas that of dexchlorpheniramine. The peak effect occursabout 3.5 hours after oral administration, and the duration ofeffect is about 12 hours.