4-methyl-4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),8(13),9,11,15,17-heptaene

• ChemBase编号: 129449
• 分子式: C19H19N
• 平均质量: 261.36086
• 单一同位素质量: 261.15174961
• SMILES: c12c(C3=C(c4ccccc4C1)CN(C)CC3)cccc2
• Canonical SMILES: CN1CCC2=C(C1)c1ccccc1Cc1c2cccc1
• InChI: InChI=1S/C19H19N/c1-20-11-10-18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)19(18)13-20/h2-9H,10-13H2,1H3
• InChIKey: GVPIXRLYKVFFMK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-methyl-4-azatetracyclo[13.4.0.0^2,^7.0^8,^1^3]nonadeca-1(19),2(7),8(13),9,11,15,17-heptaene; 4-methyl-4-azatetracyclo[13.4.0.0^2,^7.0^8,^1^3]nonadeca-1(15),2(7),8(13),9,11,16,18-heptaene
• IUPAC传统名: setiptiline; 4-methyl-4-azatetracyclo[13.4.0.0^2,^7.0^8,^1^3]nonadeca-1(15),2(7),8(13),9,11,16,18-heptaene
• 别名: Setiptiline; 2,3,4,9-Tetrahydro-2-methyl-1H-dibenzo[3,4:6,7]cyclohepta[1,2-c]pyridine; Org 8282; MO-8282; Teciptilline

登记号

• CAS号: 57262-94-9; 57262-94-9
• PubChem SID: 162223743
• PubChem CID: 5205
• Chemspider ID: 5016
• KEGG ID: D08511
• 美国药典/FDA物质标识码: 7L38105Z6E
• 维基百科标题: Setiptiline

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.0490625
• LogD (pH = 7.4): 3.662107
• Log P: 3.9848669
• 摩尔折射率: 85.5259 cm^3
• 极化性: 32.823284 Å^3
• 极化表面积: 3.24 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

药理学性质

• 给药途径: Oral
• 法定药品分级: Rx-only

详细说明

Toronto Research Chemicals - S280800

Setiptiline is a tetracyclic antidepressant. Setiptiline acts as a noradrenergic and specific serotonergic antidepressant (NaSSA).

参考文献

• Niho, T. et al.: Yak. Chir., 14, 4625 (1986)
• Tohda, M. et al.: Eur. J. Pharmacol., 166, 57 (1986)
• Przegalinski, E. et al.: Pol. J. Pharmacol. Pharm., 38, 377 (1986)