2-(2H3)methyl-N-methyl-2-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-9-amine

• ChemBase编号: 172699
• 分子式: C16H18N2
• 平均质量: 238.32752
• 单一同位素质量: 238.14699859
• SMILES: c12c(N(c3c(C(C1)NC)cccc3)C)cccc2
• Canonical SMILES: CNC1Cc2ccccc2N(c2c1cccc2)C
• InChI: InChI=1S/C16H18N2/c1-17-14-11-12-7-3-5-9-15(12)18(2)16-10-6-4-8-13(14)16/h3-10,14,17H,11H2,1-2H3
• InChIKey: YXVZOBVWVRFPTE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(^2H₃)methyl-N-methyl-2-azatricyclo[9.4.0.0^3,^8]pentadeca-1(11),3(8),4,6,12,14-hexaen-9-amine
• IUPAC传统名: 2-(^2H₃)methyl-N-methyl-2-azatricyclo[9.4.0.0^3,^8]pentadeca-1(11),3(8),4,6,12,14-hexaen-9-amine
• 别名: 10,11-Dihydro-N-methyl-5-(methyl-d3)-5H-Dibenz[b,f]azepin-10-amine; 5-(Methyl-d3)-10-methylamino-10,11-dihydrodibenzo[b,f]azepine; RP 19560-d3; 10,11-Dihydro-5-(methyl-d3)-10-5H-Dibenz[b,f]azepine; Metapramine-d3

登记号

• PubChem SID: 164228609
• PubChem CID: 71749974

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.1552892
• LogD (pH = 7.4): 1.3929796
• Log P: 3.294852
• 摩尔折射率: 75.6687 cm^3
• 极化性: 29.207436 Å^3
• 极化表面积: 15.27 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - M225832

Labelled Metapramine, a tricyclic antidepressant derived from dibenzoazepine. Metapramine acts as a norepinephrine reuptake inhibitor without affecting the reuptake of serotonin or dopamine.

参考文献

• Dagonneau, H. et al.: Comp. Rend. Sea. Soc. Biol. Ses Fil., 180, 53 (1986)
• Bonierbale M. et al.: L'Encéphale, 2, 219 (1986)
• Cuenca, E. et al.: Arch. Farmacol. Toxicol., 5, 154 (1986)