2-methyl-1-phenylpropan-2-amine

• ChemBase编号: 76
• 分子式: C10H15N
• 平均质量: 149.2328
• 单一同位素质量: 149.12044949
• SMILES: NC(Cc1ccccc1)(C)C
• Canonical SMILES: CC(Cc1ccccc1)(N)C
• InChI: InChI=1S/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3
• InChIKey: DHHVAGZRUROJKS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methyl-1-phenylpropan-2-amine
• IUPAC传统名: phentermine
• 商标名: Adipex-P; Duromine; Fastin; Inoamin; Ionamin; Linyl; Lipopill; Lonamin; Mirapront; Normephentermine; Obenix; Obestin-30; Oby-Trim; Omnibex; Ona Mast; Ona-Mast; Phentercot; Phentermine Resin 30; Phentride; Pre-Sate; Pro-Fast; Teramine; Tora; Uritone; Wilpo; Wyamine Sulfate; Zantryl
• 别名: Phentermine Hcl; Phentermine Hydrochloride; (alpha,alpha)-Dimethylphenethylamine; Phentermine

登记号

• CAS号: 122-09-8
• PubChem SID: 46508515; 160963539
• PubChem CID: 4771

理论计算性质

JChem

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -0.94001377
• LogD (pH = 7.4): -0.5458378
• Log P: 2.0848272
• 摩尔折射率: 48.3434 cm^3
• 极化性: 19.211359 Å^3
• 极化表面积: 26.02 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 2.32
• LOG S: -2.29
• 溶解度: 7.57e-01 g/l

分子性质

理化性质

• 溶解度: 18.6 g/L
• 疏水性(logP): 2.2

详细说明

DrugBank - DB00191

• Drug Groups: illicit; approved
• Description: A central nervous system stimulant and sympathomimetic with actions and uses similar to those of dextroamphetamine. It has been used most frequently in the treatment of obesity. [PubChem]
• Indication: For the treatment and management of obesity.
• Pharmacology: Phentermine is indicated in the management of exogenous obesity as a short term (a few weeks) adjunct in a regimen of weight reduction based on caloric restriction. Phentermine hydrochloride is a sympathomimetic amine with pharmacologic activity similar to the prototype drugs of this class used in obesity, the amphetamines. Actions include central nervous system stimulation and elevation of blood pressure. Tachyphylaxis and tolerance have been demonstrated with all drugs of this class in which these phenomena have been looked for.
• Toxicity: LD₅₀ is adult monkeys is 15 to 20 mg/kg. Symptoms of overdose include delirium, mania, self-injury, marked hypertension, tachycardia, arrhythmia, hyperpyrexia, convulsion, coma, and circulatory collapse.
• Affected Organisms: Humans and other mammals
• Biotransformation: Hepatic.
• Absorption: Phentermine is rapidly absorbed after oral ingestion.
• Half Life: 16 to 31 hours
• Protein Binding: Approximately 96.3%
• References: Bray GA: A concise review on the therapeutics of obesity. Nutrition. 2000 Oct;16(10):953-60. [Pubmed] ; Nelson DL, Gehlert DR: Central nervous system biogenic amine targets for control of appetite and energy expenditure. Endocrine. 2006 Feb;29(1):49-60. [Pubmed]
• External Links: Wikipedia; RxList; Drugs.com

参考文献

• Nelson DL, Gehlert DR: Central nervous system biogenic amine targets for control of appetite and energy expenditure. Endocrine. 2006 Feb;29(1):49-60. Pubmed
• Bray GA: A concise review on the therapeutics of obesity. Nutrition. 2000 Oct;16(10):953-60. Pubmed