1-[(4-chlorophenyl)(phenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine dihydrochloride

• ChemBase编号: 70386
• 分子式: C25H29Cl3N2
• 平均质量: 463.87016
• 单一同位素质量: 462.13963198
• SMILES: N1(CCN(CC1)Cc1cc(ccc1)C)C(c1ccccc1)c1ccc(cc1)Cl.Cl.Cl
• Canonical SMILES: Clc1ccc(cc1)C(c1ccccc1)N1CCN(CC1)Cc1cccc(c1)C.Cl.Cl
• InChI: 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

名称和登记号

名称

• IUPAC标准名: 1-[(4-chlorophenyl)(phenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine dihydrochloride
• IUPAC传统名: meclizine dihydrochloride; (+-)-meclizine dihydrochloride
• 别名: 1-((4-Chlorophenyl)(phenyl)methyl)-4-(3-methylbenzyl)piperazine dihydrochloride; Meclizine dihydrochloride; 1-[(4-chlorophenyl)(phenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine dihydrochloride; 1-[(4-Chlorophenyl)phenyl-methyl]-4-[3-methylphenyl)-methyl]piperazine; MECLIZINE

登记号

• CAS号: 1104-22-9
• EC号: 214-164-8
• MDL号: MFCD00058199
• PubChem SID: 162036106
• PubChem CID: 64713

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.7845445
• LogD (pH = 7.4): 5.558482
• Log P: 6.3879414
• 摩尔折射率: 119.3922 cm^3
• 极化性: 46.576492 Å^3
• 极化表面积: 6.48 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 231 - 233°C
• 疏水性(logP): 6.732

安全信息

• 保存条件: -20°C; 2-8°C
• 保存注意事项: IRRITANT
• RTECS编号: TL2005000
• TSCA收录: false

药理学性质

• 作用靶点: P2X(7) receptor

产品相关信息

• 纯度: 95%; 95+%
• 成盐信息: dihydrochloride

详细说明

MP Biomedicals - 02155341

(1-[(4-Chlorophenyl)phenyl- methyl]-4-[3-methylphenyl)- methyl]piperazine) Dihydrochloride Crystalline

Selleck Chemicals - S1986

Biological Activity:
Meclizine dihydrochloride is a human pregnane X receptor (hPXR) agonist and histamine H1 receptor antagonist. Meclizine dihydrochloride is stronger activator of hPXR than rat PXR. Meclizine dihydrochloride increases hPXR target gene expression in human hepatocyte primary cultures. Meclizine dihydrochloride is an antihistamine considered to be an antiemetic. Meclizine dihydrochloride possesses anticholinergic, central nervous system depressant, and local anesthetic effects. Meclizine dihydrochloride depresses labyrinth excitability and vestibular stimulation, and it may affect the medullary chemoreceptor trigger zone. Meclizine dihydrochloride is used to treat or prevent nausea, vomiting, and dizziness caused by motion sickness. [1]References on Meclizine 2HCl[1] http://en.wikipedia.org/wiki/Meclozine, ,

参考文献

• http://en.wikipedia.org/wiki/Meclozine