1-(diphenylmethyl)-4-methylpiperazine

• ChemBase编号: 1047
• 分子式: C18H22N2
• 平均质量: 266.38068
• 单一同位素质量: 266.17829871
• SMILES: N1(CCN(CC1)C)C(c1ccccc1)c1ccccc1
• Canonical SMILES: CN1CCN(CC1)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C18H22N2/c1-19-12-14-20(15-13-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3
• InChIKey: UVKZSORBKUEBAZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(diphenylmethyl)-4-methylpiperazine
• IUPAC传统名: wellcome
• 商标名: Emoquil; Marazine; Marezine; Marezine Hydrochloride; Marzine; Nautazine; Ne-Devomit; Neo-Devomit; Reis-Fit; Valoid; Wellcome; Marezine, Valoid, Nausicalm
• 别名: Ciclizina [INN-Spanish]; Cyclizine Chloride; Cyclizine Hydrochloride; Cyclizinum [INN-Latin]; Cyclizine; 1-Benzhydryl-4-methylpiperazine

登记号

• CAS号: 303-25-3; 82-92-8
• MDL号: MFCD00023293
• PubChem SID: 46506232; 160964510
• PubChem CID: 6726
• CHEBI ID: 3994
• ATC码: R06AE03
• CHEMBL: 648
• Chemspider ID: 6470
• DrugBank ID: DB01176
• KEGG ID: D03621
• 美国药典/FDA物质标识码: QRW9FCR9P2
• 维基百科标题: Cyclizine

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.65597045
• LogD (pH = 7.4): 2.405105
• Log P: 3.5460024
• 摩尔折射率: 84.9336 cm^3
• 极化性: 33.39166 Å^3
• 极化表面积: 6.48 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 3.55
• LOG S: -3.55
• 溶解度: 7.52e-02 g/l

分子性质

理化性质

• 溶解度: 1 mg/mL at 25 oC [MERCK INDEX (1996); less than]
• 疏水性(logP): 3

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false

药理学性质

• 给药途径: Oral, IM, IV
• 半衰期: 20 hours
• 代谢: N-demethylated to inactive norcyclizine
• 法定药品分级: P/POM (UK) OTC (NL)
• 妊娠期药物分类: A (Au)

产品相关信息

• 纯度: 95%

详细说明

DrugBank - DB01176

• Drug Groups: approved
• Description: A histamine H1 antagonist given by mouth or parenterally for the control of postoperative and drug-induced vomiting and in motion sickness. (From Martindale, The Extra Pharmacopoeia, 30th ed, p935)
• Indication: For prevention and treatment of nausea, vomiting, and dizziness associated with motion sickness, and vertigo (dizziness caused by other medical problems).
• Pharmacology: Cyclizine is a piperazine-derivative antihistamine used as an antivertigo/antiemetic agent. Cyclizine is used in the prevention and treatment of nausea, vomiting, and dizziness associated with motion sickness. Additionally, it has been used in the management of vertigo in diseases affecting the vestibular apparatus. Although the mechanism by which cyclizine exerts its antiemetic and antivertigo effects has not been fully elucidated, its central anticholinergic properties are partially responsible. The drug depresses labyrinth excitability and vestibular stimulation, and it may affect the medullary chemoreceptor trigger zone. It also possesses anticholinergic, antihistaminic, central nervous system depressant, and local anesthetic effects.
• Affected Organisms: Humans and other mammals
• Biotransformation: Cyclizine is metabolised to its N-demethylated derivative, norcyclizine, which has little antihistaminic (H1) activity compared to Cyclizine.
• Half Life: 20 hours
• External Links: Wikipedia; Drugs.com