dimethyl({3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl})amine

• ChemBase编号: 390
• 分子式: C18H19F3N2S
• 平均质量: 352.4170696
• 单一同位素质量: 352.12210428
• SMILES: S1c2c(N(CCCN(C)C)c3c1cccc3)cc(cc2)C(F)(F)F
• Canonical SMILES: CN(CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F)C
• InChI: InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3
• InChIKey: XSCGXQMFQXDFCW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: dimethyl({3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl})amine
• IUPAC传统名: triflupromazine
• 商标名: Adazine; Fluopromazine; Psyquil; Siquil; Trifluopromazine
• 别名: Triflupromazine

登记号

• CAS号: 146-54-3
• PubChem SID: 46507344; 160963853
• PubChem CID: 5568

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.52148
• LogD (pH = 7.4): 3.013445
• Log P: 4.808804
• 摩尔折射率: 94.9252 cm^3
• 极化性: 35.040066 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: true

ALOGPS 2.1

• Log P: 4.95
• LOG S: -5.29
• 溶解度: 1.80e-03 g/l

分子性质

理化性质

• 疏水性(logP): 5.2

详细说明

DrugBank - DB00508

• Drug Groups: approved
• Description: A phenothiazine used as an antipsychotic agent and as an antiemetic. [PubChem]
• Indication: Used mainly in the management of psychoses. Also used to control nausea and vomiting.
• Pharmacology: Triflupromazine is a member of a class of drugs called phenthiazines, which are dopamine D1/D2 receptor antagonists. Phenothiazines are used to treat serious mental and emotional disorders, including schizophrenia and other psychotic disorders. It reduces anxiety, emotional withdrawal, hallucinations, disorganized thoughts, blunted mood, and suspiciousness. Triflupromazine is used particularly to control violent behavior during acute episodes of psychotic disorders. It can also be used to control severe nausea and vomiting, severe hiccups, and moderate to severe pain in some hospitalized patients. Triflupromazine acts on the central nervous system.
• Toxicity: Symptoms of overdose include agitation, coma, convulsions, difficulty breathing, difficulty swallowing, dry mouth, extreme sleepiness, fever, intestinal blockage, irregular heart rate, low blood pressure, and restlessness.
• Affected Organisms: Humans and other mammals
• Biotransformation: Hepatic.
• Absorption: Absorption may be erratic and peak plasma concentrations show large interindividual differences.
• Protein Binding: Very high (90% or more).
• External Links: Wikipedia