7-[(2H7)propyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol hydrobromide

• ChemBase编号: 170481
• 分子式: C16H26BrNO
• 平均质量: 328.28774
• 单一同位素质量: 327.11977646
• SMILES: c1ccc2c(c1O)CC(CC2)N(CCC)CCC.Br
• Canonical SMILES: CCCN(C1CCc2c(C1)c(O)ccc2)CCC.Br
• InChI: InChI=1S/C16H25NO.BrH/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14;/h5-7,14,18H,3-4,8-12H2,1-2H3;1H
• InChIKey: BATPBOZTBNNDLN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-[(^2H₇)propyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol hydrobromide
• IUPAC传统名: 7-[(^2H₇)propyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol hydrobromide
• 别名: 7-(Dipropylamino)-5,6,7,8-tetrahydro-1-naphthalenol-d7 Hydrobromide; (+/-)-8-Hydroxy(N,N-dipropyl-2-amino)tetralin-d7 Hydrobromide; 8-OH DPAT-d7; rac-8-Hydroxy-2-dipropylaminotetralin-d7 Hydrobromide

登记号

• PubChem SID: 164226391
• PubChem CID: 71748987

理论计算性质

• Acid pKa: 9.8180685
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.726973
• LogD (pH = 7.4): 1.4670886
• Log P: 3.539658
• 摩尔折射率: 77.4626 cm^3
• 极化性: 30.019732 Å^3
• 极化表面积: 23.47 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - H941452

Dopamine receptor Agonist.

参考文献

• Zahorodna, A., et al.: J. Physiol. Pharmacol., 55, 371 (2004)
• Thompson, M., et al.: Prog. Neuro-Psychopharmacol. Biol. Psych., 32, 1013 (2004)
• Li, J., et al.: J. Pharmacol. Exper. Ther., 324, 827 (2004)