2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole

• ChemBase编号: 4448
• 分子式: C14H14N2
• 平均质量: 210.27436
• 单一同位素质量: 210.11569846
• SMILES: c1ccc2c(c1)cccc2CC1=NCCN1
• Canonical SMILES: C1CN=C(N1)Cc1cccc2c1cccc2
• InChI: InChI=1S/C14H14N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-7H,8-10H2,(H,15,16)
• InChIKey: CNIIGCLFLJGOGP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole; 2-[(naphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole
• IUPAC传统名: naphazoline
• 商标名: Albalon; Naphcon-a
• 别名: Naphazoline; 2-(naphthalen-1-ylmethyl)-4,5-dihydro-1h-imidazole

登记号

• CAS号: 835-31-4
• PubChem SID: 160967880; 99443263
• PubChem CID: 4436
• ATC码: R01AA08
• CHEMBL: 761
• Chemspider ID: 4283
• DrugBank ID: DB06711
• KEGG ID: D08253
• 美国药典/FDA物质标识码: H231GF11BV
• 维基百科标题: Naphazoline

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.22005366
• LogD (pH = 7.4): -0.070375994
• Log P: 2.193117
• 摩尔折射率: 65.5195 cm^3
• 极化性: 26.432104 Å^3
• 极化表面积: 24.39 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 3.44
• LOG S: -3.74
• 溶解度: 3.81e-02 g/l

分子性质

药理学性质

• 给药途径: Topical

产品相关信息

• 纯度: 97%

详细说明

DrugBank - DB06711

• Drug Groups: approved
• Description: Naphazoline is a rapid acting sympathomimetic vasoconstrictor of occular artierioles. It acts to decrease congestion of the conjunctiva and is found in many over-the-counter eye drops.
• Indication: Naphazoline is primarily indicated in conditions like Corneal vascularity, Hyperaemia, Itching, Nasal congestion, and can also be given in adjunctive therapy as an alternative drug of choice in Sinusitis
• Pharmacology: Naphazoline is a direct acting sympathomimetic adrenergic alpha-agonist used to induce systemic vasoconstriction, thereby decreasing nasal congestion and inducing constriction around the conjunctiva. The sympathomimetic action of Naphazoline constricts the smaller arterioles of the nasal passages, producing a decongesting effect. Naphazoline ophthalmic causes constriction of blood vessels in the eyes. It also decreases itching and irritation of the eyes. aphazoline constricts the vascular system of the conjunctiva. It is presumed that this effect is due to direct stimulation action of the drug upon the alpha adrenergic receptors in the arterioles of the conjunctiva resulting in decreased conjunctival congestion. Naphazoline belongs to the imidazoline class of sympathomimetics.
• Toxicity: Extended usage of Naphazoline can result in decreased effectiveness or a build up of tolerance against the drug. The number of receptors decreases, and when the administration of the drug is ceased, chronic congestion can occur; this is called rhinitis medicamentosa, commonly referred to as rebound congestion. Moreover long-term overdosing can cause degenerative changes in nasal mucous membranes that pose another health problem.
• External Links: Wikipedia