2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate

• ChemBase编号: 854
• 分子式: C17H25NO3
• 平均质量: 291.3853
• 单一同位素质量: 291.18344367
• SMILES: OC1(CCCC1)C(c1ccccc1)C(=O)OCCN(C)C
• Canonical SMILES: CN(CCOC(=O)C(C1(O)CCCC1)c1ccccc1)C
• InChI: InChI=1S/C17H25NO3/c1-18(2)12-13-21-16(19)15(14-8-4-3-5-9-14)17(20)10-6-7-11-17/h3-5,8-9,15,20H,6-7,10-13H2,1-2H3
• InChIKey: SKYSRIRYMSLOIN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate
• IUPAC传统名: cyclopentolate
• 商标名: AK-Pentolate; Akpentolate; Cyclogyl; Cylate; Minims Cyclopentolate; Mydrilate; Ocu-Pentolate; Pentolair
• 别名: Ciclopentolato [INN-Spanish]; Cyclopentolate HCL; Cyclopentolatum [INN-Latin]; Cyclopentylate; Cyclopentoiate; Diopentolate; Cyclopentolate

登记号

• CAS号: 512-15-2
• PubChem SID: 160964317; 46504517
• PubChem CID: 2905
• CHEBI ID: 4024
• ATC码: S01FA04
• CHEMBL: 1200473
• Chemspider ID: 2802
• DrugBank ID: DB00979
• KEGG ID: D07759
• 美国药典/FDA物质标识码: I76F4SHP7J
• 维基百科标题: Cyclopentolate

理论计算性质

JChem

• Acid pKa: 14.18693
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -0.501637
• LogD (pH = 7.4): 1.259811
• Log P: 2.3162184
• 摩尔折射率: 82.8058 cm^3
• 极化性: 32.763153 Å^3
• 极化表面积: 49.77 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 2.09
• LOG S: -2.29
• 溶解度: 1.50e+00 g/l

分子性质

理化性质

• 疏水性(logP): 2.4

药理学性质

• 给药途径: Topic
• 妊娠期药物分类: C

详细说明

DrugBank - DB00979

• Drug Groups: approved
• Description: A parasympatholytic anticholinergic used solely to obtain mydriasis or cycloplegia. [PubChem]
• Indication: Used mainly to produce mydriasis and cycloplegia for diagnostic purposes.
• Pharmacology: Cyclopentolate is an anti-muscarinic in the same class as atropine and scopolamine. Cyclopentolate blocks the receptors in the muscles of the eye (muscarinic receptors). These receptors are involved controlling the pupil size and the shape of the lens. Cyclopentolate thus induces relaxation of the sphincter of the iris and the ciliary muscles. When applied topically to the eyes, it causes a rapid, intense cycloplegic and mydriatic effect that is maximal in 15 to 60 minutes; recovery usually occurs within 24 hours. The cycloplegic and mydriatic effects are slower in onset and longer in duration in patients who have dark pigmented irises.
• Toxicity: Oral LD₅₀ in the rat is 4000 mg/kg and 960 mg/kg in the mouse. Symptoms of overdose include tachycardia, dizziness, dry mouth, behavioral disturbances, uncoordination and drowsiness.
• Affected Organisms: Humans and other mammals
• Absorption: Absorbed following ophthalmic administration.
• References: [Link]
• External Links: Wikipedia; Drugs.com

参考文献

• Link