dimethyl[(1S)-3-(naphthalen-1-yloxy)-1-phenylpropyl]amine hydrochloride

• ChemBase编号: 70172
• 分子式: C21H24ClNO
• 平均质量: 341.87436
• 单一同位素质量: 341.15464207
• SMILES: [C@@H](CCOc1cccc2ccccc12)(N(C)C)c1ccccc1.Cl
• Canonical SMILES: CN([C@H](c1ccccc1)CCOc1cccc2c1cccc2)C.Cl
• InChI: InChI=1S/C21H23NO.ClH/c1-22(2)20(18-10-4-3-5-11-18)15-16-23-21-14-8-12-17-9-6-7-13-19(17)21;/h3-14,20H,15-16H2,1-2H3;1H/t20-;/m0./s1
• InChIKey: IHWDIQRWYNMKFM-BDQAORGHSA-N

名称和登记号

名称

• IUPAC标准名: dimethyl[(1S)-3-(naphthalen-1-yloxy)-1-phenylpropyl]amine hydrochloride
• IUPAC传统名: dapoxetine hydrochloride
• 别名: (S)-N,N-Dimethyl-3-(naphthalen-1-yloxy)-1-phenylpropan-1-amine hydrochloride; Priligy; LY-210448 hydrochloride; Dapoxetine hydrochloride; S1869; (αS)-N,N-Dimethyl-α-[2-(1-naphthalenyloxy)ethyl]benzenemethanamine; LY-210448; (S)-N,N-dimethyl-1-phenyl-3-(1-naphthalenyloxy)propanamine hydrochloride; S-(+)-N,N-dimethyl-a-[2-(naphthalenyloxy)ethyl] benzenemethanamine hydrochloride, LY-210448 hydrochloride; Dapoxetine hydrochloride

登记号

• CAS号: 129938-20-1
• MDL号: MFCD08272809
• PubChem SID: 162035896
• PubChem CID: 71352

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.4468201
• LogD (pH = 7.4): 3.020529
• Log P: 4.667896
• 摩尔折射率: 96.1387 cm^3
• 极化性: 39.01058 Å^3
• 极化表面积: 12.47 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; DMSO: ≥20 mg/mL; Methanol
• 外观: white powder; White to Off-White Solid
• 熔点: 180-182°C
• 比旋光度: [α]/D +125 to +135°, c = 1 in methanol

安全信息

• 保存条件: -20°C; -20°C Freezer
• 保存注意事项: IRRITANT
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22-36-50/53
• 安全公开号: 36-60-61
• TSCA收录: false
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H319-H413
• GHS警示性声明: P305 + P351 + P338
• 保存温度: room temp

产品相关信息

• 纯度: ≥98% (HPLC); 95+%
• 成盐信息: HCL
• Empirical Formula (Hill Notation): C21H23NO · HCl

详细说明

Selleck Chemicals - S1869

Research Area: Neurological Disease
Biological Activity:
Dapoxetine hydrochloride is a short-acting novel selective serotonin reuptake inhibitor marketed for the treatment of premature ejaculation in men. Premature ejaculation (PE) is the most common male sexual disorder, estimated to affect up to 30% of men. Dapoxetine is the only drug with regulatory approval for such an indication. The treatment of PE consists of primarily off-label use of oral selective serotonin reuptake inhibitors (SSRIs) via either on-demand or daily delivery. [1][2]

Sigma Aldrich - D7071

Biochem/physiol Actions
Potent Selective serotonin reuptake inhibitor (SSRI); used in treatment of premature ejaculation

Toronto Research Chemicals - D185700

Selective serotonin reuptake inhibitor (SSRI).

参考文献

• Kendirci M et al. Ther Clin Risk Manag. 2007 Jun
• Feret, B., et al.: Formulary, 40, 227 (2005)