benzyl(methyl)(1-phenylpropan-2-yl)amine

• ChemBase编号: 743
• 分子式: C17H21N
• 平均质量: 239.35534
• 单一同位素质量: 239.16739968
• SMILES: N(C(Cc1ccccc1)C)(Cc1ccccc1)C
• Canonical SMILES: CN(C(Cc1ccccc1)C)Cc1ccccc1
• InChI: InChI=1S/C17H21N/c1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3
• InChIKey: YXKTVDFXDRQTKV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: benzyl(methyl)(1-phenylpropan-2-yl)amine
• IUPAC传统名: d-benzphetamine
• 商标名: Didrex
• 别名: Benzylamphetamine; Benzfetamine; Benzphetamine Hydrochloride; Benzphetamine

登记号

• CAS号: 156-08-1
• PubChem SID: 160964206
• PubChem CID: 2341

理论计算性质

JChem

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 0.90645355
• LogD (pH = 7.4): 1.9718962
• Log P: 4.344352
• 摩尔折射率: 78.3871 cm^3
• 极化性: 30.702745 Å^3
• 极化表面积: 3.24 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: 3.72
• LOG S: -4.01
• 溶解度: 2.33e-02 g/l

分子性质

理化性质

• 溶解度: Readily soluble
• 疏水性(logP): 4.1

详细说明

DrugBank - DB00865

• Drug Groups: illicit; approved
• Description: A sympathomimetic agent with properties similar to dextroamphetamine. It is used in the treatment of obesity. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1222)
• Indication: For the management of exogenous obesity as a short term adjunct (a few weeks) in a regimen of weight reduction based on caloric restriction
• Pharmacology: Benzphetamine, a phenylalkylamin, is related to amphetamine both chemically and pharmacologically. It is an anorectic agent indicated in the management of exogenous obesity as a short term adjunct (a few weeks) in a regimen of weight reduction based on caloric restriction. Benzphetamine 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=160 mg/kg (orally in rats). Acute overdosage may result in restlessness, tremor, tachypnea, confusion, assaultiveness, and panic states.
• Affected Organisms: Humans and other mammals
• Biotransformation: Hepatic. Benzphetamine's metabolites include amphetamine and methamphetamine.
• Absorption: Readily absorbed from the gastro-intestinal tract and buccal mucosa. It Is resistant to metabolism by monoamine oxidase.
• Half Life: 16 to 31 hours
• Protein Binding: 75-99%
• External Links: Wikipedia; RxList; Drugs.com