基本情報
- CAS
6138-79-0- 標準SMILES
Cc1ccc(/C(=C\CN2CCCC2)c2ccccn2)cc1.Cl.O- InChIKey
CUZMOIXUFHOLLN-UMVVUDSKSA-N- 分子式
- C19H22N2.ClH.H2O
- 平均分子量
- 332.9 g/mol
- 単同位体質量
- 332.1655411
概要
Triprolidine hydrochloride monohydrate is an odorless white crystalline powder. Bitter taste. (NTP, 1992)
名称と識別子
- 優先名称
- Triprolidine hydrochloride monohydrate
- IUPAC
- 2-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine;hydrate;hydrochloride
- 現地名
- 酸トリプロリジン 一水和物
- 英語名
- Triprolidine hydrochloride
- 分子式
- C19H23ClN2
- 分子量
- 332.87
名称と別名
TRIPROLIDINE HYDROCHLORIDE MONOHYDRATE6138-79-0ActidilonVenenDTXSID0021410Pro-ActidilPro-EntraDTXCID201410CHEBI:32265Pyridine, 2-(3-(1-pyrrolidinyl)-1-p-tolylpropenyl)-, monohydrochloride, monohydrate, stereoisomerRefChem:1100506Triprolidine hydrochloride hydrate
名称をさらに表示
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rate,stereoisomerTRIPROLIDINE HCL USPtrans-TriprolidineHClTripolidine HydrochlorideTriprolidine hydrochlorideTriprolidine HydrochloriseTRIPROLIDINEHYDROCHLORIDE,USPTriprolidine hydrochloride (347)triprolidinesigmareferencestandard
Triprolidine.HCl monohydrateTriprolidine HCl monohydratetrans-Triprolidine hydrochloride(E)-2-(3-(1-Pyrrolidinyl)-1-p-tolylpropenyl)pyridine monohydrochloride monohydrate(E)-2-(3-(Pyrrolidin-1-yl)-1-(p-tolyl)prop-1-en-1-yl)pyridine hydrochloride hydratePyridine, 2-(1-(4-methylphenyl)-3-(1-pyrrolidinyl)-1-propenyl)-, monohydrochloride, monohydrate, (E)-Triprolidine hydrochloride hydrate (JAN)Pyridine, 2-[1-(4-methylphenyl)-3-(1-pyrrolidinyl)-1-propenyl]-, monohydrochloride, monohydrate, (E)-
物性
構造計算による物性
- 極性表面積
- 17.1 Ų
- 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
実験および物理化学的性質
Solubilitygreater than or equal to 100 mg/mL at 68 °F (NTP, 1992)
Melting Point239 to 248 °F (NTP, 1992)
Physical DescriptionTriprolidine hydrochloride monohydrate is an odorless white crystalline powder. Bitter taste. (NTP, 1992)
物理化学的性質
- 融点
- 115 · 115-120°C
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- 1.5 · アルコール: 1.5 の溶剤に可溶1
- 外見
- Solid
- 色
- ホワイトからオフホワイト
- 水溶解度
- 10 g/100 · >=10 g/100 mL at 20 ºC
- Merck
- 13 · 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,4-5,13-15H2,1H3;1H/b18-11+;
- InChIKey
- WYUYEJNGHIOFOC-NWBUNABESA-N
- SMILES
- C(=C/CN1CCCC1)(\C1=NC=CC=C1)/C1C=CC(C)=CC=1.Cl
- LogP
- 4.223 · 4.223 (est)
- CAS データベース
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H302 (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.
危険有害性情報
Regulatory InformationPyridine, 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
Other Safety InformationIMAP assessments - Pyridine, 2-[1-(4-methylphenyl)-3-(1-pyrrolidinyl)-1-propenyl]-, monohydrochloride, monohydrate, (E)-: Environment tier I assessment
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health Hazards
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)
Reactive GroupAmines, 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.
化学と産業
応用分野
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.
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