{4-[(6-chloro-2-methoxyacridin-9-yl)amino]pentyl}diethylamine dihydrate dihydrochloride

• ChemBase编号: 103508
• 分子式: C23H36Cl3N3O3
• 平均质量: 508.90924
• 单一同位素质量: 507.18222507
• SMILES: O.O.Cl.Cl.CCN(CC)CCCC(C)Nc1c2cc(OC)ccc2nc2cc(Cl)ccc12
• Canonical SMILES: CCN(CCCC(Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C)CC.O.O.Cl.Cl
• InChI: InChI=1S/C23H30ClN3O.2ClH.2H2O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23;;;;/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26);2*1H;2*1H2
• InChIKey: RZFNKJVCPDLQQA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {4-[(6-chloro-2-methoxyacridin-9-yl)amino]pentyl}diethylamine dihydrate dihydrochloride
• IUPAC传统名: quinacrine dihydrate dihydrochloride
• 别名: Atabrine dihydrochloride; Mepacrine dihydrochloride; 6-Chloro-9-((4-(diethylamino)-1-methylbutyl) amino)-2-methoxyacridine dihydrochloride; Acrichine; Chemiochin; Erion; Malaricida; Mecryl; Methoquine; QUINACRINE; N4-(6-chloro-2-methoxyacridin-9-yl)-N1,N1-diethylpentane-1,4-diamine dihydrochloride dihydrate

登记号

• CAS号: 69-05-6
• EC号: 200-700-8
• PubChem SID: 162090397
• PubChem CID: 2725002

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -3.9949434E-4
• LogD (pH = 7.4): 1.3863823
• Log P: 5.151537
• 摩尔折射率: 118.9644 cm^3
• 极化性: 48.14002 Å^3
• 极化表面积: 37.39 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 248-250°C (dec.)

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: AR7875000
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 危险公开号: R:22-36/37/38
• 安全公开号: S:25-26-36/37/39

产品相关信息

• 成盐信息: 2 HCl, 2 H2O

详细说明

MP Biomedicals - 02152004

Dihydrochloride
Crystalline
Dihydrate
Fluorescent probe with acetylcholine-activated synaptic membranes.
Also a monoamine oxidase inhibitor.