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

• ChemBase编号: 73060
• 分子式: C14H15ClN2
• 平均质量: 246.7353
• 单一同位素质量: 246.09237617
• SMILES: c12cccc(c1cccc2)CC1=NCCN1.Cl
• Canonical SMILES: C1CN=C(N1)Cc1cccc2c1cccc2.Cl
• InChI: InChI=1S/C14H14N2.ClH/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);1H
• InChIKey: DJDFFEBSKJCGHC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole hydrochloride; 2-[(naphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole hydrochloride
• IUPAC传统名: naphazoline hydrochloride
• 别名: 2-(1-萘基甲基)咪唑啉 盐酸盐; 萘甲唑啉 盐酸盐; 2-(1-萘基甲基)-2-咪唑啉 盐酸盐; Naphcon; Albalon; Naphazoline hydrochloride; 2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole hydrochloride; Naphazoline hydrochloride; 2-IMIDAZOLINE HYDROCHLORIDE; NAPHAZOLINE; 2-(1-naphthylmethyl)imidazoline hydrochloride; Naphazoline hydrochloride; Naphthazoline hydrochloride; 2-(1-Naphthylmethyl)-2-imidazoline hydrochloride

登记号

• CAS号: 550-99-2
• EC号: 208-989-2
• MDL号: MFCD00012554
• Beilstein号: 3716843
• 默克索引号: 146368
• PubChem SID: 162037980; 24278592
• PubChem CID: 11079

理论计算性质

• 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

分子性质

理化性质

• 熔点: 257-261°C

安全信息

• 保存条件: -20°C; Room Temperature (15-30°C)
• RTECS编号: NJ4375000
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 联合国危险货物编号: 2811; UN2811
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 2; II
• 危险公开号: 25
• 安全公开号: 20-36-45; 45
• TSCA收录: 否
• GHS危险品标识: GHS06
• GHS警示词: Danger
• GHS危险声明: H300
• GHS警示性声明: P264-P270-P301+P310-P321-P405-P501A; P264-P301 + P310
• 个人保护装置: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 2

药理学性质

• 相关基因信息: human ... ADRA1A(148), ADRA1B(147), ADRA1D(146), ADRA2A(150), ADRA2B(151), ADRA2C(152)

产品相关信息

• 纯度: 98%; 99%
• 成盐信息: HCl; hydrochloride

详细说明

MP Biomedicals - 02155769

Hydrochloride Crystalline

Selleck Chemicals - S2519

Research Area: Cardiovascular Disease
Biological Activity:
Naphazoline hydrochloride (Naphcon) is an ocular vasoconstrictor and imidazoline derivative sympathomimetic amine. Naphazoline constricts the vascular system of the conjunctiva. Naphazoline 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 (Naphcon) belongs to the imidazoline class of sympathomimetics. [1][2]

Sigma Aldrich - N5504

Biochem/physiol Actions
α-adrenoceptor agonist; imidazoline receptor agonist; vasoconstrictor.

参考文献

• Zavala JA et al. Arq Neuropsiquiatr. 2004 Sep