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

• ChemBase编号: 617
• 分子式: C25H27ClN2
• 平均质量: 390.94828
• 单一同位素质量: 390.18627655
• SMILES: Clc1ccc(C(N2CCN(CC2)Cc2cc(ccc2)C)c2ccccc2)cc1
• Canonical SMILES: Clc1ccc(cc1)C(c1ccccc1)N1CCN(CC1)Cc1cccc(c1)C
• InChI: InChI=1S/C25H27ClN2/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
• InChIKey: OCJYIGYOJCODJL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-[(4-chlorophenyl)(phenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine
• IUPAC传统名: (+-)-meclizine; meclizine
• 商标名: Ancolan; Ancolon; Antivert; Antivert/25; Antivert/50; Bonadettes; Bonadoxin; Bonamine; Bonine; Calmonal; Chiclida; Diadril; Dramamine; Dramamine II; Histamethine; Histamethizine; Histametizine; Histametizyne; Itinerol; Marex; Meclicot; Meclizine Hcl; Meclozine; Medivert; Monamine; Navicalm; Neo-Istafene; Neo-Suprimal; Neo-Suprimel; Parachloramine; Peremesin; Postafene; Ravelon; Sabari; Sea-Legs; Siguran; Subari; Suprimal; Travelon; Veritab; Vomisseis; Vomissels
• 别名: Meclizine; 1-[(4-chlorophenyl)(phenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine; Meclozine

登记号

• CAS号: 569-65-3
• MDL号: MFCD00242697
• PubChem SID: 160964080; 46507782
• PubChem CID: 4034
• ATC码: R06AE05
• CHEMBL: 1623
• Chemspider ID: 3894
• DrugBank ID: DB00737
• IUPHAR配体索引: 2757
• 美国药典/FDA物质标识码: 3L5TQ84570
• 维基百科标题: Meclozine
• Medline Plus: a682548

理论计算性质

JChem

• 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

ALOGPS 2.1

• Log P: 5.59
• LOG S: -5.58
• 溶解度: 1.03e-03 g/l

分子性质

理化性质

• 溶解度: 0.1gm/100ml
• 沸点: 230°C (446°F)
• 疏水性(logP): 5.8; 6.732

药理学性质

• 给药途径: Oral, Sublingual/Buccal
• 半衰期: 6 hours
• 代谢: hepatic
• 法定药品分级: OTC (US); OTC (Canada)
• 妊娠期药物分类: B (US)

产品相关信息

• 纯度: 95%

详细说明

DrugBank - DB00737

• Drug Groups: approved
• Description: A histamine H1 antagonist used in the treatment of motion sickness, vertigo, and nausea during pregnancy and radiation sickness. [PubChem]
• Indication: For the prevention and treatment of nausea, vomiting, or dizziness associated with motion sickness.
• Pharmacology: Meclizine, a piperazine-derivative H₁-receptor antagonist similar to buclizine, cyclizine, and hydroxyzine, is used as an antivertigo/antiemetic agent. Meclizine is used in the management of nausea, vomiting, and dizziness associated with motion sickness and vertigo in diseases affecting the vestibular apparatus.
• Toxicity: Symptoms of overdose include drowsiness and anticholinergic effects. LD₅₀=mg/kg (orally in rat).
• Affected Organisms: Humans and other mammals
• Biotransformation: Hepatic
• Absorption: Well absorbed
• Half Life: 6 hours
• External Links: Wikipedia; RxList; Drugs.com