5-[(2R)-2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl]-2-methoxybenzene-1-sulfonamide hydrochloride

• ChemBase编号: 155796
• 分子式: C20H29ClN2O5S
• 平均质量: 444.97266
• 单一同位素质量: 444.14857072
• SMILES: CCOc1ccccc1OCCN[C@H](C)Cc1ccc(c(c1)S(=O)(=O)N)OC.Cl
• Canonical SMILES: CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C.Cl
• InChI: InChI=1S/C20H28N2O5S.ClH/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24;/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24);1H/t15-;/m1./s1
• InChIKey: ZZIZZTHXZRDOFM-XFULWGLBSA-N

名称和登记号

名称

• IUPAC标准名: 5-[(2R)-2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl]-2-methoxybenzene-1-sulfonamide hydrochloride
• IUPAC传统名: tamsulosin hydrochloride; 5-[(2R)-2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl]-2-methoxybenzene-1-sulfonamide hydrochloride
• 别名: 5-[(2R)-2-[[2-(2-Ethoxyphenoxy)ethyl]amino]propyl]-2-methoxybenzenesulfonamide hydrochloride; Tamsulosin hydrochloride; 5-[(2R)-2-[[2-(-Ethoxyphenoxy)ethyl]amino]propyl]-2-methoxybenzenesulfonamide Hydrochloride; Flomax; Harnal; Omnic; Pradif; YM 12617-1; YM 617; Yutanal; (R)-Tamsulosin Hydrochloride; (R)-5-(2-((2-(2-Ethoxyphenoxy)ethyl)amino)propyl)-2-methoxybenzenesulfonamide hydrochloride

登记号

• CAS号: 106463-17-6
• MDL号: MFCD00922997
• PubChem SID: 162249934
• PubChem CID: 5362376

理论计算性质

• Acid pKa: 9.932656
• 质子受体: 6
• 质子供体: 2
• LogD (pH = 5.5): -0.6416307
• LogD (pH = 7.4): 0.46680295
• Log P: 2.038114
• 摩尔折射率: 108.8649 cm^3
• 极化性: 43.42021 Å^3
• 极化表面积: 99.88 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO: >10 mg/mL; Methanol
• 外观: white powder; White to Off-White Solid
• 熔点: 228-230°C

安全信息

• 保存条件: -20°C Freezer
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22-36/37/38
• 安全公开号: 26
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 保存温度: room temp

药理学性质

• 生物活性机理: Prostate selective alpha 1-adrenoceptor antagonist

产品相关信息

• 纯度: ≥98% (HPLC); 95+%
• 成盐信息: HCl
• 应用领域: Antineoplastic agent; Used in the treatment of benign prostatic hyperplasia
• Empirical Formula (Hill Notation): C20H28N2O5S · HCl

详细说明

Sigma Aldrich - T1330

Biochem/physiol Actions
Tamsulosin is an α1A/1D-adrenoceptor antagonist used as a treatment of benign prostatic hypertrophy (BPH). Its activity as an ? blocker also affects the iris, and has led to complications during cataract surgery, a condition called "floppy iris" syndrome.1

Toronto Research Chemicals - T006350

(R)-Tamsulosin is a specific α1-adrenoceptor antagonist. It is used in the treatment of benign prostatic hypertrophy.

参考文献

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