adamantan-1-amine hydrochloride

• ChemBase编号: 55388
• 分子式: C10H18ClN
• 平均质量: 187.70962
• 单一同位素质量: 187.11277726
• SMILES: C1C2CC3(CC1CC(C2)C3)N.Cl
• Canonical SMILES: NC12CC3CC(C2)CC(C1)C3.Cl
• InChI: InChI=1S/C10H17N.ClH/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;/h7-9H,1-6,11H2;1H
• InChIKey: WOLHOYHSEKDWQH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: adamantan-1-amine hydrochloride
• IUPAC传统名: amantadine hydrochloride; amantidine hydrochloride
• 别名: 1-金刚胺盐酸盐; Symmetrel; Amantadine hydrochloride; Amantadine hydrochloride; 1-Aminoadamantane hydrochloride; 1-Adamantanamine hydrochloride; Amantadine; Tricyclodecane; 1-ADAMANTANAMINE HYDROCHLORIDE; Tricyclo[3.3.1.13,7]decan-1-amine Hydrochloride; EXP-105-1; NSC-83653; Adekin; Lysovir; Mantadan; Mantadine; Mantadix; Virofral; 1-Adamantylamine hydrochloride

登记号

• CAS号: 665-66-7
• EC号: 211-560-2
• MDL号: MFCD00074723
• Beilstein号: 4198854
• 默克索引号: 14374
• PubChem SID: 162060151
• PubChem CID: 64150

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -1.5643042
• LogD (pH = 7.4): -1.3837394
• Log P: 1.4659475
• 摩尔折射率: 45.5356 cm^3
• 极化性: 18.504875 Å^3
• 极化表面积: 26.02 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO; Methanol; Water
• 外观: White Solid
• 熔点: > 300°C; >300°C (dec); 360°C

安全信息

• 保存条件: -20°C; -20°C Freezer; Room Temperature (15-30°C), Desiccate
• 保存注意事项: Hygroscopic; IRRITANT
• RTECS编号: AU4375000
• 欧盟危险性物质标志: X; 有害性(Harmful) (Xn)
• 联合国危险货物编号: 2811
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): III
• 澳大利亚Hazchem: 2X
• 危险公开号: 22-63; R:22
• 安全公开号: 36/37; S:36/37/39
• 欧盟危险货物分类: T2
• 欧盟危险识别号(EUHIN): 6.1B
• 美国ERG指导号: 154
• TSCA收录: false; 是
• GHS危险品标识: GHS07; GHS08
• GHS危险声明: H361-H302
• GHS警示性声明: P281-P264-P301+P312-P308+P313-P405-P501A

产品相关信息

• 纯度: 98%; 99%
• 成盐信息: hydrochloride

详细说明

MP Biomedicals - 02100187

Hydrochloride
Crystalline
Purity: 99%
Anti-viral activity

Selleck Chemicals - S2451

Research Area: Infection
Biological Activity:
Amantadine hydrochloride(Symmetrel) is used to treat or prevent infections of the respiratory tract caused by a certain virus. It acts by slowing the growth of the virus. Amantadine is also used to treat symptoms of Parkinson s disease and to treat the side effects caused by certain psychiatric drugs. Amantadine is the organic compound known formally as 1-aminoadamantane. The molecule consists of adamantane backbone that is substituted at one of the four methyne positions with an amino group.[1]

Toronto Research Chemicals - A575820

NMDA-receptor antagonist. Antiviral; antiparkinsonian.

参考文献

• http://en.wikipedia.org/wiki/Amantadine
• Vernier, V.G., et al; Toxicol. Appl. Pharmacol., 15, 642 (1969)
• Kirschbaum, J., et al.: Anal. Profiles Drug Subs., 12, 1 (1969)