1,2,3,4-tetrahydroacridin-9-amine hydrochloride

• ChemBase编号: 104030
• 分子式: C13H15ClN2
• 平均质量: 234.7246
• 单一同位素质量: 234.09237617
• SMILES: Cl.Nc1c2CCCCc2nc2ccccc12
• Canonical SMILES: Nc1c2CCCCc2nc2c1cccc2.Cl
• InChI: InChI=1S/C13H14N2.ClH/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;/h1,3,5,7H,2,4,6,8H2,(H2,14,15);1H
• InChIKey: ZUFVXZVXEJHHBN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,2,3,4-tetrahydroacridin-9-amine hydrochloride
• IUPAC传统名: tacrine hydrochloride
• 别名: 1,2,3,4-Tetrahydro-9-Acridinamine Hydrochloride Dihydrate; Hydroaminacrine Dihydrate; Romotal Dihydrate; THA Dihydrate; Tacrine Hydrochloride Dihydrate; Tenakrin Dihydrate; 9-Amino-1,2,3,4-tetrahydroacridine Hydrochloride Dihydrate; Tacrine HCl; THA; 9-AMINO-1,2,3,4-TETRAHYDROACRIDINE; tacrine hydrochlorid

登记号

• CAS号: 1684-40-8
• EC号: 216-867-5
• PubChem SID: 162091404
• PubChem CID: 2723754

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.83008754
• LogD (pH = 7.4): 1.254769
• Log P: 2.6281447
• 摩尔折射率: 61.7381 cm^3
• 极化性: 24.629675 Å^3
• 极化表面积: 38.91 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: Pale Yellow Solid
• 熔点: 284-286°C; 284-286°C

安全信息

• 保存条件: 0°C; -20°C Freezer
• RTECS编号: AR9532500
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 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): II
• 澳大利亚Hazchem: 2XE
• 危险公开号: R:25
• 安全公开号: S:28-36/37/39-45-53
• 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

药理学性质

• 作用靶点: Others

产品相关信息

• 纯度: ≥98%
• 成盐信息: hydrochlorid

详细说明

MP Biomedicals - 02154198

(Tacrine HCl; THA) Hydrochloride Purity: ≥98% A potent centrally acting anticholinesterase for therapy of memory deficits in patients with Alzheimer's disease. THA also selectively blocks potassium channels in the central ner

Toronto Research Chemicals - A629700

A potent centrally acting anticholinesterase, for therapy of memory deficits in patients with Alzheimers's disease. THA also selectively blocks potassium channels in the central nervous system, which results in an increased release of acetylcholine and

参考文献

• Harper, J., et al.: Chem. Biol., 4, 119 ( 1997), Kirkitadze, M., et al.: J. Mol. Biol., 312, 1103 (2001)
• Zhuang, Z., et al.: J. Med. Chem., 44, 1905 (2001)
• Necula, M.J., et al.: Biol. Chem., 282, 10311 (2001)