1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol hydrochloride

• ChemBase编号: 72681
• 分子式: C17H28ClNO2
• 平均质量: 313.86272
• 单一同位素质量: 313.18085682
• SMILES: C1CCCCC1(C(CN(C)C)c1ccc(cc1)OC)O.Cl
• Canonical SMILES: COc1ccc(cc1)C(C1(O)CCCCC1)CN(C)C.Cl
• InChI: InChI=1S/C17H27NO2.ClH/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14;/h7-10,16,19H,4-6,11-13H2,1-3H3;1H
• InChIKey: QYRYFNHXARDNFZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol hydrochloride
• IUPAC传统名: venlafaxine hydrochloride; 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol hydrochloride
• 别名: Venlafaxine 盐酸盐; 1-[2-(Dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol Hydrochloride; D,L-Venlafaxine, Hydrochloride; (+/-)-1-[2-(Dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol hydrochloride; Venlafaxine hydrochloride; Effexor; Effexor XR; Efexor; Venlafaxine hydrochloride

登记号

• CAS号: 99300-78-4
• MDL号: MFCD03658865
• PubChem SID: 162037602
• PubChem CID: 62923

理论计算性质

• Acid pKa: 14.420212
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -0.412785
• LogD (pH = 7.4): 1.221672
• Log P: 2.7385228
• 摩尔折射率: 83.0242 cm^3
• 极化性: 32.606743 Å^3
• 极化表面积: 32.7 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; H2O: >10 mg/mL; Methanol
• 外观: white powder; White Solid
• 熔点: 207-209°C

安全信息

• 保存条件: -20°C; protect from light; Refrigerator
• RTECS编号: GV8872760
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36
• 安全公开号: 26
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H319
• GHS警示性声明: P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

药理学性质

• 作用靶点: 5-HT receptor
• 生物活性机理: 5HT Uptake inhibitor; Serotonin-norepinephrine reuptake inhibitor (SNRI)

产品相关信息

• 纯度: ≥98% (HPLC)
• 成盐信息: HCl; Hydrochloride
• 应用领域: Antidepressant for the treatment of clinical depression and anxiety disorders
• Empirical Formula (Hill Notation): C17H27NO2 · HCl

详细说明

Selleck Chemicals - S1441

Research Area: Neurological Disease
Biological Activity:
Venlafaxine is an arylalkanolamine serotonin-norepinephrine reuptake inhibitor (SNRI). It is surprisingly effective in treating depression in heroin and other opioid addicts compared to all other conventional antidepressants. In children and adolescents, venlafaxine (like other antidepressants) has a potential to increase suicidal thoughts, attempts and events of self-harm. [1]

Sigma Aldrich - V7264

Biochem/physiol Actions
Venlafaxine is an antidepressant. The mechanism of the antidepresant action of venlafaxine in humans is associated with its potentiation of neurotransmitter activity in the CNS. Venlafaxine is a potent inhibitor of neuronal serotonin and norepinephrine reuptake and weak inhibitor of dopamine reuptake. Venlafaxine has no significant activity for muscarinic, histaminergic, or α-1 adrenergic receptors in vitro. Venlafaxine does not possess MAO inhibitor activity.

Toronto Research Chemicals - V120000

A selective serotonin noradrenaline reuptake inhibitor. Used as an antidepressant.

参考文献

• http://www.rxlist.com/effexor-drug.htm
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• Martindale, The Extra Pharmacopoeia, 32nd edn., Pharmaceutical Press, 1999, 311