基本情報
- CAS
1104-22-9- 標準SMILES
Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1.Cl- InChIKey
GJNMJOHYRWHJQB-UHFFFAOYSA-N- 分子式
- C25H28Cl2N2
- 平均分子量
- 427.4 g/mol
- 単同位体質量
- 426.1629543
概要
See also: Meclizine (has active moiety).
名称と識別子
- 優先名称
- Meclizine Monohydrochloride
- IUPAC
- 1-[(4-chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine;hydrochloride
- 現地名
- 1-[(4-クロロフェニル)フェニルメチル]-4-[(3-メチルフェニル)メチル]ピペラジン·2塩酸塩
- 英語名
- Meclizine dihydrochloride
- 分子式
- C25H29Cl3N2
- 分子量
- 463.87
名称と別名
Meclizine MonohydrochlorideMeclozine hydrochlorideMeclozine monohydrochlorideMeclizine monohydrochloride anhydrous410538-37-3008PUV3986Piperazine, 1-((4-chlorophenyl)phenylmethyl)-4-((3-methylphenyl)methyl)-, hydrochloride (1:1)Piperazine, 1-((4-chlorophenyl)phenylmethyl)-4-((3-methylphenyl)methyl)-, monohydrochlorideANHYDROUS MECLOZINE HYDROCHLORIDERefChem:925416Duremesinmeclizine diHCl
名称をさらに表示
メクリジン塩酸塩メクリジン二塩酸塩塩酸メクリジン1-[(4-クロロフェニル)フェニルメチル]-4-[(3-メチルフェニル)メチル]ピペラジン·2塩酸塩1-(4-クロロベンズヒドリル)-4-(3-メチルベンジル)ピペラジン二塩酸塩Meclozine HcldiadrilbonamineNSC 28728Navidoxine)-4-(3-methyLMeclizine 2HClMeclozine ,Bonamineancolandihydrochloride
36236-67-6UNII-008PUV3986MLS000028709CHEMBL1085765SMR0000587361-[(4-chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine;hydrochloridePostafene dihydrochloride1-((4-Chlorophenyl)benzyl)-4-((m-tolyl)methyl)piperazine hydrochloride
物性
構造計算による物性
- 極性表面積
- 6.5 Ų
- 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
- 5
- 重原子数
- 29
- 形式電荷
- 0
- 複雑度
- 447
物理化学的性質
- 融点
- 210 to · 210.0 to 214.0 °C
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- 5 mg/mL、透明 · DMSO：可溶5mg/mL、透明（加温）
- 外見
- 粉
- 色
- 白からベージュ
- InChI
- 1S/C25H27ClN2.2ClH/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23;;/h2-13,18,25H,14-17,19H2,1H3;2*1H
- InChIKey
- VCTHNOIYJIXQLV-UHFFFAOYSA-N
- SMILES
- [Cl-].[Cl-].Clc1ccc(cc1)C(N3CCN(CC3)Cc4cc(ccc4)C)c2ccccc2.[H+].[H+]
- CAS データベース
- 1104 · 1104-22-9(CAS DataBase Reference)
- EPAの化学物質情報
- 1 · Piperazine, 1-[(4-chlorophenyl)phenylmethyl]-4-[(3-methylphenyl)methyl]-, dihydrochloride (1104-22-9)
化学的性質
化学的特性White or yellowish-white, slightly hygroscopic, crystalline powder.
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。
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- TL2005000
- 毒性
- LD50 oral in mouse: 1600mg/kg
- hs_code
- 2933.59.8000
- risk_code
- 22-63
- hazard_code
- Xn
- safety_code
- 22-36
- Hazard Classifications
- Acute Tox. 4 OralRepr. 2
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
MeSH Pharmacological Classification
Drugs used to prevent NAUSEA or VOMITING.
Drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine. Included here are the classical antihistaminics that antagonize or prevent the action of histamine mainly in immediate hypersensitivity. They act in the bronchi, capillaries, and some other smooth muscles, and are used to prevent or allay motion sickness, seasonal rhinitis, and allergic dermatitis and to induce somnolence. The effects of blocking central nervous system H1 receptors are not as well understood.
Drugs that bind to but do not activate CHOLINERGIC RECEPTORS, thereby blocking the actions of ACETYLCHOLINE or cholinergic agonists.
Agents that are used to treat allergic reactions. Most of these drugs act by preventing the release of inflammatory mediators or inhibiting the actions of released mediators on their target cells. (From AMA Drug Evaluations Annual, 1994, p475)
応用分野
説明Meclizine is a histamine H1 receptor antagonist (Ki = 250 nM). Pretreatment with meclizine (2.5-30 mg/kg, i.p.) reduces ovalbumin-induced mast cell degranulation, edema, and leukocyte influx in rat lung. Formulations containing meclizine have been used in the treatment of motion sickness and vertigo.
使用Meclizine Dihydrochloride is a histamine H1 receptor antagonist with antiemetic properties. Meclizine Dihydrochloride is a research product for neuroscience. This compound may exhibit neuroprotective properties.
上流・下流製品情報
上流原料
サプライヤー100 社
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