1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine hydrochloride

• ChemBase编号: 167970
• 分子式: C12H17ClN2O2
• 平均质量: 256.72858
• 单一同位素质量: 256.09785547
• SMILES: c1ccc2c(c1N1CCNCC1)OCCO2.Cl
• Canonical SMILES: N1CCN(CC1)c1cccc2c1OCCO2.Cl
• InChI: InChI=1S/C12H16N2O2.ClH/c1-2-10(14-6-4-13-5-7-14)12-11(3-1)15-8-9-16-12;/h1-3,13H,4-9H2;1H
• InChIKey: JFSOSUNPIXJCIX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine hydrochloride
• IUPAC传统名: eltoprazine hydrochloride
• 别名: 1-(2,3-Dihydro-1,4-benzodioxin-5-yl)piperazine Hydrochloride; DU 28853; DU 28893; Eltoprazine Hydrochloride; 1-(2,3-Dihydrobenzo[b][1,4]dioxin-5-yl)piperazine hydrochloride

登记号

• CAS号: 98206-09-8; 98224-03-4
• PubChem SID: 162262103
• PubChem CID: 3025067

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -1.9238118
• LogD (pH = 7.4): -0.37932405
• Log P: 1.0584939
• 摩尔折射率: 62.1994 cm^3
• 极化性: 23.940533 Å^3
• 极化表面积: 33.73 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 95+%

详细说明

Toronto Research Chemicals - E507500

5-HT1 and 5-HT2C receptor partial agonist that has been shown to reduce 5-HIAA levels in the striatum and exhibits antiaggressive behavior in vivo. A novel drug for the treatment of anxiety as well as other neurological and mental disorders.

参考文献

• Miczek et al.: Psychopharmacol.Bull., 25, 399 (1989)
• Schipper et al.: Drug Metabol.Drug Interact., 8, 85 (1989)