1-cyclopentyl-1-phenyl-3-(piperidin-1-yl)propan-1-ol

• ChemBase编号: 818
• 分子式: C19H29NO
• 平均质量: 287.43966
• 单一同位素质量: 287.22491455
• SMILES: OC(C1CCCC1)(CCN1CCCCC1)c1ccccc1
• Canonical SMILES: OC(c1ccccc1)(C1CCCC1)CCN1CCCCC1
• InChI: InChI=1S/C19H29NO/c21-19(18-11-5-6-12-18,17-9-3-1-4-10-17)13-16-20-14-7-2-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2
• InChIKey: SWRUZBWLEWHWRI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-cyclopentyl-1-phenyl-3-(piperidin-1-yl)propan-1-ol
• IUPAC传统名: cycrimine
• 商标名: Pagitane
• 别名: Cycrimine hydrochloride; Cycrimine

登记号

• CAS号: 77-39-4
• PubChem SID: 46506736; 160964281
• PubChem CID: 2911

理论计算性质

JChem

• Acid pKa: 13.84003
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.45616972
• LogD (pH = 7.4): 1.8717896
• Log P: 3.788117
• 摩尔折射率: 88.6042 cm^3
• 极化性: 34.990223 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

ALOGPS 2.1

• Log P: 4.15
• LOG S: -4.5
• 溶解度: 9.09e-03 g/l

分子性质

理化性质

• 疏水性(logP): 4

详细说明

DrugBank - DB00942

• Drug Groups: approved
• Description: Cycrimine is a drug used to reduce levels of acetylcholine to return a balance with dopamine in the treatment and management of Parkinson's disease.
• Indication: For treatment and management of Parkinson's disease.
• Pharmacology: Cycrimine is a central anticholenergic used in the treatment of the symptoms of Parkinson's disease. It is a drug used to reduce levels of acetylcholine. Acetylcholine is usually in balance with dopamine neurotransmitters, however lower levels of dopamine are present in the brain of patients suffering from Parkinson's disease. By lowering levels of acetylcholine, it is thought that this balance may be restored.
• Affected Organisms: Humans and other mammals
• Protein Binding: 14-21%
• References: Vedasiromoni JR, Ganguly DK: Cycrimine on rat diaphragm. Arch Int Pharmacodyn Ther. 1976 Jan;219(1):64-9. [Pubmed]

参考文献

• Vedasiromoni JR, Ganguly DK: Cycrimine on rat diaphragm. Arch Int Pharmacodyn Ther. 1976 Jan;219(1):64-9. Pubmed