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

• ChemBase编号: 260
• 分子式: C20H31NO
• 平均质量: 301.46624
• 单一同位素质量: 301.24056462
• SMILES: OC(C1CCCCC1)(CCN1CCCCC1)c1ccccc1
• Canonical SMILES: OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1
• InChI: InChI=1S/C20H31NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2
• InChIKey: HWHLPVGTWGOCJO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-cyclohexyl-1-phenyl-3-(piperidin-1-yl)propan-1-ol
• IUPAC传统名: trihexyphenidyl
• 商标名: Apo-Trihex; Artane; Artane Sequels; Benzhexol; Benzhexolum; Parkinane Retard; PMS Trihexyphenidyl; Tremin; Trihexane; Trihexy
• 别名: Trihexifenidilo [INN-Spanish]; Trihexylphenidyl; Trihexylphenidyle; Trihexylphenizyl; Trihexyphenidyl HCl; Trihexyphenidyle; Trihexyphenidyle [INN-French]; Trihexyphenidylum [INN-Latin]; Triphenidyl; Trihexyphenidyl

登记号

• CAS号: 144-11-6
• PubChem SID: 160963723; 46507717
• PubChem CID: 5572
• ATC码: N04AA01
• CHEMBL: 1490
• Chemspider ID: 5371
• DrugBank ID: DB00376
• KEGG ID: D08638
• 美国药典/FDA物质标识码: 6RC5V8B7PO
• 维基百科标题: Trihexyphenidyl
• Medline Plus: a682160

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): 0.90073836
• LogD (pH = 7.4): 2.3163583
• Log P: 4.2326856
• 摩尔折射率: 93.2052 cm^3
• 极化性: 36.836517 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: 4.93
• LOG S: -4.98
• 溶解度: 3.14e-03 g/l

分子性质

理化性质

• 疏水性(logP): 4.5

药理学性质

• 给药途径: Oral, as tablet or elixir
• 半衰期: 3.3-4.1 hours
• 法定药品分级: Rx-Only (US)
• 妊娠期药物分类: C US

详细说明

DrugBank - DB00376

• Drug Groups: approved
• Description: One of the centrally acting muscarinic antagonists used for treatment of parkinsonian disorders and drug-induced extrapyramidal movement disorders and as an antispasmodic. [PubChem]
• Indication: Indicated for the treatment of parkinson's disease and extrapyramidal reactions caused by drugs.
• Pharmacology: Trihexyphenidyl is an anticholinergic used in the symptomatic treatment of all etiologic groups of parkinsonism and drug induced extrapyramidal reactions (except tardive dyskinesia). Trihexyphenidyl possesses both anticholinergic and antihistaminic effects, although only the former has been established as therapeutically significant in the management of parkinsonism.
• Toxicity: Symptoms of overdose include mydriasis, dryness of mucous membranes, red face, atonic states of bowels and bladder, and hyperthermia in high doses. Central consequences are agitation, confusion, and hallucinations. An untreated overdose may be fatal, particular in children. Premortal signs are respiratory depression and cardiac arrest.
• Affected Organisms: Humans and other mammals
• Absorption: Trihexyphenidyl is rapidly absorbed from the gastrointestinal tract.
• Half Life: 3.3-4.1 hours
• External Links: Wikipedia; RxList; Drugs.com