diethyl[1-(10H-phenothiazin-10-yl)propan-2-yl]amine

• ChemBase编号: 275
• 分子式: C19H24N2S
• 平均质量: 312.47226
• 单一同位素质量: 312.16601978
• SMILES: S1c2c(N(CC(N(CC)CC)C)c3c1cccc3)cccc2
• Canonical SMILES: CCN(C(CN1c2ccccc2Sc2c1cccc2)C)CC
• InChI: InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3
• InChIKey: CDOZDBSBBXSXLB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: diethyl[1-(10H-phenothiazin-10-yl)propan-2-yl]amine
• IUPAC传统名: profenamine
• 商标名: Dibutil; Lysivane; Parcidol; Pardidol; Pardisol; Parfezin; Parfezine; Parkin; Parkisol; Parphezein; Parphezin; Parsidol; Parsitan; Parsotil; Prodictazin; Rochipel; Rocipel; Rodipal; Tomil; Parsidan
• 别名: Ethopropazine Hydrochloride; Ethapropazine; Ethopromazine; Etopropezina; Aethopropropazin; Athapropazine; Athopropazin; Isothazine hydrochloride; Isothazine; Isotazin; Isopthazine; Fenpropazina; Isothiazine; Profenaminum [INN-Latin]; Profenamine monohydrochloride; Profenamine hydrochloride; Profenamine; Profenamina [Italian]; Profenamina [INN-Spanish]; Prophenamine; Prophenaminum; Prodierazine; Phenoprozine; Phenopropazine; Fempropazine; Ethopropazine

登记号

• CAS号: 1094-08-2
• PubChem SID: 160963738; 46507375
• PubChem CID: 3290

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.5971804
• LogD (pH = 7.4): 2.8187735
• Log P: 5.001187
• 摩尔折射率: 98.0021 cm^3
• 极化性: 37.847862 Å^3
• 极化表面积: 6.48 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

ALOGPS 2.1

• Log P: 5.75
• LOG S: -4.78
• 溶解度: 5.24e-03 g/l

分子性质

理化性质

• 溶解度: 0.693 mg/L
• 疏水性(logP): 5.2

详细说明

DrugBank - DB00392

• Drug Groups: approved
• Description: Ethopropazine (also known as profenamine hydrochloride) is a medication derived from phenothiazine. It is primarily used as an antidyskinetic to treat parkinsonism. It is sold under the trade names Parsidol in the United States and Parsidan in Canada.
• Indication: For use in the treatment of Parkinson's disease and also used to control severe reactions to certain medicines such as reserpine.
• Pharmacology: Ethopropazine, a phenothiazine and antidyskinetic, is used in the treatment of Parkinson's disease. By improving muscle control and reducing stiffness, this drug permits more normal movements of the body as the disease symptoms are reduced. It is also used to control severe reactions to certain medicines such as reserpine, phenothiazines, chlorprothixene, thiothixene, loxapine, and haloperidol. Unlike other NMDA antagonists, ethopropazine — because of its anticholinergic action — is largely devoid of neurotoxic side effects. Ethopropazine also has a slight antihistaminic and local anesthetic effect.
• Toxicity: Symptoms of overdose include severe clumsiness or unsteadiness, severe drowsiness, severe dryness of mouth, nose, or throat, fast heartbeat, shortness of breath or troubled breathing, and warmth, dryness, and flushing of skin.
• Affected Organisms: Humans and other mammals
• Absorption: Well-absorbed from the gastrointestinal tract.
• Half Life: 1 to 2 hours
• Protein Binding: 93%
• External Links: Wikipedia