N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]pyridin-2-amine

• ChemBase编号: 5167
• 分子式: C16H20ClN3
• 平均质量: 289.8031
• 单一同位素质量: 289.13457534
• SMILES: CN(C)CCN(c1ccccn1)Cc1ccc(cc1)Cl
• Canonical SMILES: CN(CCN(c1ccccn1)Cc1ccc(cc1)Cl)C
• InChI: InChI=1S/C16H20ClN3/c1-19(2)11-12-20(16-5-3-4-10-18-16)13-14-6-8-15(17)9-7-14/h3-10H,11-13H2,1-2H3
• InChIKey: ICKFFNBDFNZJSX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]pyridin-2-amine
• IUPAC传统名: chloropyramine
• 商标名: Suprastin; Avapena; Synopen; Synpen
• 别名: N-(4-chlorobenzyl)-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine; Chlorpyramine; Anaphylline; Halopyramine; Chlorpyraminum; Chloropyramine

登记号

• CAS号: 59-32-5
• PubChem SID: 160968597
• PubChem CID: 25295
• ATC码: R06AC03; D04AA09
• Chemspider ID: 23628
• DrugBank ID: DB08800
• KEGG ID: D07195
• 美国药典/FDA物质标识码: 2K3L8O9SOV
• 维基百科标题: Chloropyramine

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.5361275
• LogD (pH = 7.4): 2.4228516
• Log P: 3.805237
• 摩尔折射率: 86.0797 cm^3
• 极化性: 32.760555 Å^3
• 极化表面积: 19.37 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 3.79
• LOG S: -2.82
• 溶解度: 4.41e-01 g/l

分子性质

理化性质

• 溶解度: Insoluble [MSDS]

药理学性质

• 妊娠期药物分类: C

详细说明

DrugBank - DB08800

• Drug Groups: approved
• Description: Chloropyramine is a first generation antihistamine drug approved in some Eastern European countries for the treatment of allergic conjunctivitis, allergic rhinitis, bronchial asthma, and other atopic (allergic) conditions. Related indications for clinical use include Quincke's edema, allergic reactions to insect bites, food and drug allergies, and anaphylactic shock.
• Indication: For the treatment of allergic conjunctivitis, allergic rhinitis, bronchial asthma, and other atopic (allergic) conditions.
• Pharmacology: Chloropyramine is known as a competitive reversible H1-receptor antagonist (also known as an H1 inverse agonist), meaning that it exerts its pharmacological action by competing with histamine for the H1 subtype histamine receptor. By blocking the effects of histamine, the drug inhibits the vasodilation, increased vascular permeability, and tissue edema associated with histamine release in the tissue. In addition, chloropyramine has some anticholinergic properties. Chloropyramine's anticholinergic properties and the fact that it can pass through the blood-brain barrier are linked to its clinical side effects: drowsiness, weakness, vertigo, fatigue, dryness in the mouth, constipation, and rarely - visual disturbances and increase of intraocular pressure.
• Toxicity: Oral (LD50): Acute: 142 mg/kg [Rat]. 135 mg/kg [Mouse]. DUST (LC50): Acute: 209 mg/m 2 hours [Rat].
• Affected Organisms: Humans and other mammals

DrugBank - DB07523

Drug information: experimental