(1-cyclohexylpropan-2-yl)(methyl)amine

• ChemBase编号: 4451
• 分子式: C10H21N
• 平均质量: 155.28044
• 单一同位素质量: 155.16739968
• SMILES: CC(CC1CCCCC1)NC
• Canonical SMILES: CNC(CC1CCCCC1)C
• InChI: InChI=1S/C10H21N/c1-9(11-2)8-10-6-4-3-5-7-10/h9-11H,3-8H2,1-2H3
• InChIKey: JCRIVQIOJSSCQD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (1-cyclohexylpropan-2-yl)(methyl)amine
• IUPAC传统名: dristan; propylhexedrine
• 商标名: Benzedrex; Dristan; Obesin
• 别名: Propylhexedrine; (2-cyclohexyl-1-methylethyl)methylamine; Hexahydrodesoxyephedrine; Hexahydromethamphetamine; Dimethylcyclohexaneethanamine; Cycohexylisopropylmethylamine

登记号

• CAS号: 101-40-6; 3595-11-7
• MDL号: MFCD00013766
• PubChem SID: 99443266; 160967883
• PubChem CID: 7558
• Chemspider ID: 7277
• DrugBank ID: DB06714
• KEGG ID: D05637
• 美国药典/FDA物质标识码: LQU92IU8LL
• 维基百科标题: Propylhexedrine

理论计算性质

JChem

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -0.53163725
• LogD (pH = 7.4): -0.22243364
• Log P: 2.7045949
• 摩尔折射率: 49.5352 cm^3
• 极化性: 19.986317 Å^3
• 极化表面积: 12.03 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 3.37
• LOG S: -3.23
• 溶解度: 9.04e-02 g/l

分子性质

药理学性质

• 给药途径: Medical: Intranasal (inhaler) and oral.; Recreational: Oral and parenteral routes.
• 法定药品分级: Unscheduled (US Federal); Schedule varies (US States); Schedule V (Canada Exempted from the application of the CDSA
• 妊娠期药物分类: C

详细说明

DrugBank - DB06714

• Drug Groups: approved
• Description: Propylhexedrine is an alpha-adrenergic agonist often used in nasal decongestant inhalers.. It is used to give temporary relief for nasal congestion from colds, allergic rhinitis, or allergies.
• Indication: It is used to provide temporary symptomatic relief of nasal congestion due to colds, allergies and allergic rhinitis.
• Pharmacology: Like other monoamine releasing stimulants propylhexedrine is active as a norepinephrine and dopamine releaser in the central nervous system. The acute effects of the drug closely resemble the physiological and psychological effects of an epinephrine-provoked fight-or-flight response, including increased heart rate and blood pressure, vasoconstriction (constriction of the arterial walls), bronchodilation, and hyperglycemia (increased blood sugar).
• Toxicity: The signs and symptoms that are produced after the acute overdosage of Propylhexidrine include Psychosis, Burning sensation.
• External Links: Wikipedia