10-[2-(1-methylpiperidin-2-yl)ethyl]-2-(methylsulfanyl)-10H-phenothiazine

• ChemBase编号: 561
• 分子式: C21H26N2S2
• 平均质量: 370.57454
• 单一同位素质量: 370.15374084
• SMILES: S1c2c(N(CCC3N(CCCC3)C)c3c1cccc3)cc(SC)cc2
• Canonical SMILES: CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1
• InChI: InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
• InChIKey: KLBQZWRITKRQQV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-(methylsulfanyl)-10H-phenothiazine
• IUPAC传统名: thioridazine
• 商标名: Aldazine; Mallorol; Malloryl; Meleril; Mellaril; Mellaril Hydrochloride; Mellaril-S; Mellarit; Mellerets; Mellerette; Melleretten; Melleril; Metlaril; Novoridazine; Orsanil; Ridazin; Ridazine; Sonapax; Sonapax Hydrochloride; Stalleril; Thioridazine Hcl Intensol; Thioridazine, Prolongatum; Tioridazin
• 别名: Thioridazine Hydrochloride; Thioridazine Chloride; Thioridazin; Thoridazine Hydrochloride; Thioridazine Hcl; Thioridazine

登记号

• CAS号: 50-52-2
• PubChem SID: 46509070; 160964024
• PubChem CID: 5452

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.3070333
• LogD (pH = 7.4): 3.9332237
• Log P: 5.469306
• 摩尔折射率: 113.5226 cm^3
• 极化性: 43.827343 Å^3
• 极化表面积: 6.48 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

ALOGPS 2.1

• Log P: 5.93
• LOG S: -5.64
• 溶解度: 8.55e-04 g/l

分子性质

理化性质

• 溶解度: 0.0336 mg/L
• 疏水性(logP): 5.9

详细说明

DrugBank - DB00679

• Drug Groups: approved
• Description: A phenothiazine antipsychotic used in the management of psychoses, including schizophrenia, and in the control of severely disturbed or agitated behavior. It has little antiemetic activity. Thioridazine has a higher incidence of antimuscarinic effects, but a lower incidence of extrapyramidal symptoms, than chlorpromazine. (From Martindale, The Extra Pharmacopoeia, 30th ed, p618)
• Indication: For the treatment of schizophrenia and generalized anxiety disorder.
• Pharmacology: Thioridazine is a trifluoro-methyl phenothiazine derivative intended for the management of schizophrenia and other psychotic disorders. Thioridazine has not been shown effective in the management of behaviorial complications in patients with mental retardation.
• Toxicity: LD₅₀=956-1034 mg/kg (Orally in rats); Agitation, blurred vision, coma, confusion, constipation, difficulty breathing, dilated or constricted pupils, diminished flow of urine, dry mouth, dry skin, excessively high or low body temperature, extremely low blood pressure, fluid in the lungs, heart abnormalities, inability to urinate, intestinal blockage, nasal congestion, restlessness, sedation, seizures, shock
• Affected Organisms: Humans and other mammals
• Biotransformation: Hepatic
• Absorption: 60%
• Half Life: 21-25 hours
• Protein Binding: 95%
• External Links: Wikipedia; RxList; Drugs.com