メクリジン二塩酸塩一水和物
Meclizine Hydrochloride
基本情報
- CAS
31884-77-2- 標準SMILES
Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1.Cl.Cl.O- InChIKey
KDLHYOMCWBWLMM-UHFFFAOYSA-N- 分子式
- C25H31Cl3N2O
- 平均分子量
- 481.9 g/mol
- 単同位体質量
- 480.150197
概要
Meclizine hydrochloride is a diarylmethane.
名称と識別子
- 優先名称
- Meclizine Hydrochloride
- IUPAC
- 1-[(4-chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine;hydrate;dihydrochloride
- 現地名
- メクリジン二塩酸塩一水和物
- 英語名
- Meclizine Dihydrochloride Monohydrate
- 分子式
- C25H27ClN2.2ClH.H2O
- 分子量
- 481.892
名称と別名
Meclizine HclMeclizine hydrochlorideAncolanPostafenAgyraxBonamineHDP7W44CIOUCB-5062Meclozine hydrochloride monohydrateNSC-757094NSC169189Traveleeze
名称をさらに表示
メクリジン二塩酸塩一水和物塩酸メクリジン (JAN)塩酸メクリジンMeclizine Related CoMpound BPermesinAntivertMeclizine Hydrochloride APIMECLIZINE HYDROCHLORIDE (500 MG)Meclizine Hydrochloride (1377009)MECLIZINE HYDROCHLORIDE MONOHYDRATEMeclizine dihydrochloride monohydrate
Travel-easeNausea ReliefPepto NauseaNaus-easeNausXMotion-TimeSea-calmTravel Ease
データベース識別子
- CAS
31884-77-2- PubChem CID
- 173612
- DTXSID
DTXSID30953792- ChEMBL
CHEMBL3989555- ChEBI
CHEBI:31805- UNII
- HDP7W44CIO
物性
構造計算による物性
- 極性表面積
- 7.5 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 3
- 回転可能結合数
- 5
- 重原子数
- 31
- 形式電荷
- 0
- 複雑度
- 447
実験および物理化学的性質
Human Drugs
Breast Feeding; Lactation; Milk, Human; Antiemetics; Antihistamines; Anti-Allergic Agents
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Collision Cross Section205.7 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
物理化学的性質
- 融点
- 210 · 210-213°C
- 貯蔵温度
- -20 °C · -20°C Freezer
- 溶解性
- クロロホルム（微量）、DMSO（微量）、メタノール（微量）、水（微量）
- 外見
- 個体
- 色
- 白い
- 水溶解度
- 水に不溶。
- 主な用途
- 医薬品（低分子化合物）
- InChI
- 1S/C25H27ClN2.2ClH.H2O/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;1H2
- InChIKey
- KDLHYOMCWBWLMM-UHFFFAOYSA-N
- SMILES
- [Cl-].[Cl-].Clc1ccc(cc1)C(N3CCN(CC3)Cc4cc(ccc4)C)c2ccccc2.O.[H+].[H+]
- CAS データベース
- 31884 · 31884-77-2
化学的性質
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。
毒性情報
Exposure RoutesOral. Well absorbed
Toxicity Summary
Along with its actions as an antagonist at H<sub>1</sub>-receptors, meclizine also possesses anticholinergic, central nervous system depressant, and local anesthetic effects. Meclizine depresses labyrinth excitability and vestibular stimulation and may affect the medullary chemoreceptor trigger zone.
Signs and SymptomsSymptoms of overdose include drowsiness and anticholinergic effects.
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Meclizine hydrochloride
vNo-DILI-concern
0
No match
DOI:10.1016/j.drudis.2016.02.015
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
Toxicity DataLD50: 1600 mg/kg (oral) (A701)
LD50: 659 mg/kg (i.p.) (A701)
安全データ
- wgk
- WGK 3
- tsca
- Yes
- hs_code
- 2933599550
- Hazard Classifications
- Acute Tox. 4 Oral
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
Metabolism/MetabolitesHepatic
Half Life: 6 hours
FDA Pharmacological Classification
MECLIZINE HCL
Antiemetic [EPC]; Emesis Suppression [PE]
MECLIZINE HCL 12.5 MG
Antiemetic [EPC]; Emesis Suppression [PE]
MECLIZINE HCL 12.5MG
Antiemetic [EPC]; Emesis Suppression [PE]
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)
用途と製造
Uses
Use (kg) in Switzerland (2009): >25
For the prevention and treatment of nausea, vomiting, or dizziness associated with motion sickness.
応用分野
使用Meclizine Dihydrochloride Monohydrate is used for the prevention and treatment of nausea, vomiting, or dizziness associated with motion sickness.
一般的な説明Meclizine hydrochloride,1-(p-chloro-α-phenylbenzyl)-4-(m-methylbenzyl)piperazinedihydrochloride monohydrate (Bonine, Antivert), is atasteless, white or slightly yellowish crystalline powder that is practically insoluble in water (1:1,000). It differs fromchlorcyclizine in having an N-m-methylbenzyl group inplace of the N-methyl group. Although it is a moderately potentantihistaminic, meclizine is used primarily as an antinauseantin the prevention and treatment of motion sicknessand in the treatment of nausea and vomiting associated withvertigo.
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