3,5-dimethyladamantan-1-amine hydrochloride

• ChemBase编号: 55389
• 分子式: C12H22ClN
• 平均质量: 215.76278
• 单一同位素质量: 215.14407739
• SMILES: C1C2(CC3(CC1(CC(C2)C3)C)N)C.Cl
• Canonical SMILES: CC12CC3CC(C1)(C)CC(C2)(C3)N.Cl
• InChI: InChI=1S/C12H21N.ClH/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;/h9H,3-8,13H2,1-2H3;1H
• InChIKey: LDDHMLJTFXJGPI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3,5-dimethyladamantan-1-amine hydrochloride
• IUPAC传统名: memantine hydrochloride
• 别名: 3,5-二甲基-1-三环癸烷胺 盐酸盐; 3,5-二甲基三环癸烷胺 盐酸盐; 美金胺 盐酸盐; Namenda; Memantine hydrochloride; 3,5-Dimethyladamantan-1-amine hydrochloride; 3,5-Dimethyltricyclo[3.3.1.13,7]decan-1-amine Hydrochloride; 3,5-Dimethyl-1-adamantanamine; 1-Amino-3,5-dimethyladamantane Hydrochloride; Akatinol; Axura; Ebix; Ebixia; Ebixza; NSC 102290; SUN Y7017; Tocris; (3,5-Dimethyl-1-adamantyl)amine hydrochloride; 3,5-Dimethyl-1-adamantanamine hydrochloride; 3,5-Dimethylamantadine hydrochloride; Memantine hydrochloride; 3,5-Dimethyladamantan-1-amine

登记号

• CAS号: 19982-08-2; 41100-52-1
• EC号: 255-219-6
• MDL号: MFCD00214336
• PubChem SID: 162060152; 24277990
• PubChem CID: 181458

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -0.9641042
• LogD (pH = 7.4): -0.7781375
• Log P: 2.0660417
• 摩尔折射率: 54.4858 cm^3
• 极化性: 22.19729 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
• 外观: White Solid
• 熔点: >300°C (sublimes)

安全信息

• 保存条件: -20°C; -20°C Freezer; Room Temperature (15-30°C)
• 保存注意事项: IRRITANT
• RTECS编号: YD1958750
• 德国WGK号: 3
• TSCA收录: false
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

药理学性质

• 作用靶点: AMPA/kainate receptor
• 相关基因信息: human ... DRD1(1812), DRD2(1813), DRD3(1814), DRD4(1815), DRD5(1816)

产品相关信息

• 纯度: ≥98%; ≥98% (GC); 95+%
• 成盐信息: hydrochloride
• Empirical Formula (Hill Notation): C12H21N · HCl

详细说明

MP Biomedicals - 02193681

Hydrochloride Purity: >98% An NMDA receptor antagonist and dopamine release stimulator.

Selleck Chemicals - S2043

Research Area: Cancer
Biological Activity:

Sigma Aldrich - M9292

Biochem/physiol Actions
Low-affinity NMDA glutamate receptor antagonist; stimulates dopamine release.

Toronto Research Chemicals - M218000

Used as an antiparkinsonian and antispasmodic.

参考文献

• Rohde, H., et al.: Fortschr. Med., 100, 2023 (1982)
• Kornhuber, J., et al.: Eur. J. Pharmacol., 166, 589 (1982)
• Gortelmeyer, R. and Erbler, H.: Arzneimittel-Forsch., 42, 904 (1992)