3-(diphenylmethoxy)-8-methyl-8-azabicyclo[3.2.1]octane hydrobromide

• ChemBase编号: 120170
• 分子式: C21H26BrNO
• 平均质量: 388.34124
• 单一同位素质量: 387.11977646
• SMILES: N1(C2CC(CC1CC2)OC(c1ccccc1)c1ccccc1)C.Br
• Canonical SMILES: CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1.Br
• InChI: InChI=1S/C21H25NO.BrH/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18-21H,12-15H2,1H3;1H
• InChIKey: DFENFKJORSPHQZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(diphenylmethoxy)-8-methyl-8-azabicyclo[3.2.1]octane hydrobromide
• IUPAC传统名: benztropine hydrobromide; 3-(diphenylmethoxy)-8-methyl-8-azabicyclo[3.2.1]octane hydrobromide
• 别名: 3-(benzhydryloxy)-8-methyl-8-azabicyclo[3.2.1]octane hydrobromide; Akitan; Cobrentin; Cogentin; Cogentine; Cogentinol; Benztropine hydrobromide

登记号

• CAS号: 86-13-5
• PubChem SID: 162214523
• PubChem CID: 21516046

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.79359984
• LogD (pH = 7.4): 2.0576518
• Log P: 4.1854005
• 摩尔折射率: 94.2404 cm^3
• 极化性: 37.30829 Å^3
• 极化表面积: 12.47 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

药理学性质

• 生物活性机理: Anticholinergic agent

产品相关信息

• 成盐信息: HBr
• 应用领域: Also has antihistaminic props. and acts as appetite stimulant for livestock; Antiparkinsonian drug

参考文献

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• Am J Psychiatry. 1998 Apr;155(4):565-7.
• that differentially determine antagonist-binding properties. Journal of Neurochemistry 107 (4): 928?0.
• 4. Schmitt KC, Zhen J, Kharkar P, et al. (November 2008). Interaction of cocaine-, benztropine-, and GBR12909-like compounds with wild-type and mutant human dopamine transporters: molecular features