{3-[(1-benzyl-1H-indazol-3-yl)oxy]propyl}dimethylamine hydrochloride

• ChemBase编号: 104139
• 分子式: C19H24ClN3O
• 平均质量: 345.86636
• 单一同位素质量: 345.16079008
• SMILES: Cl.CN(C)CCCOc1nn(Cc2ccccc2)c2c1cccc2
• Canonical SMILES: CN(CCCOc1nn(c2c1cccc2)Cc1ccccc1)C.Cl
• InChI: InChI=1S/C19H23N3O.ClH/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16;/h3-7,9-12H,8,13-15H2,1-2H3;1H
• InChIKey: HNNIWKQLJSNAEQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {3-[(1-benzyl-1H-indazol-3-yl)oxy]propyl}dimethylamine hydrochloride
• IUPAC传统名: tantum hydrochloride
• 别名: 1-苄基-3-[3-(二甲基氨基)丙氧基]-1H-吲唑; 苄达明 盐酸盐; 3-((1-benzyl-1H-indazol-3-yl)oxy)-N,N-dimethylpropan-1-amine hydrochloride; N,N-Dimethyl-3-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-1-propanamine Hydrochloride; 1-Benzyl-3-[3-(dimethylamino)propoxy]-1H-indazole Hydrochloride; Afloben; Alcidol; Andolex; Benalgin; Benciflam; Bendaminol; Benzyrin; Difflam; Difflam Cream; Dorinamin; Enzamin; Imotryl; Riripen; Salyzoron; Saniflor; Tamas; Tantum; Verax; Benzydamine Hydrochloride; Benzydamine hydrochloride; 1-Benzyl-3[3-dimethylamino)-propoxy]-1H-indazole; BENZYDAMINE; Benzindamine hydrochloride

登记号

• CAS号: 132-69-4
• EC号: 205-076-0
• MDL号: MFCD00078957
• PubChem SID: 162091619; 24891840
• PubChem CID: 65464

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.3502634
• LogD (pH = 7.4): 1.8069162
• Log P: 3.6598475
• 摩尔折射率: 105.5629 cm^3
• 极化性: 37.47632 Å^3
• 极化表面积: 30.29 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Methanol
• 外观: Off-White Solid
• 熔点: 147-153°C

安全信息

• 保存条件: 2-8°C; Refrigerator
• RTECS编号: NK7875000
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 20/21/22-36; R:22-36
• 安全公开号: 26-36; S:26-36/37/39
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H319
• GHS警示性声明: P305 + P351 + P338
• 保存温度: 2-8°C

药理学性质

• 作用靶点: Others

产品相关信息

• 纯度: 95+%
• 成盐信息: HCl

详细说明

MP Biomedicals - 02154838

(1-Benzyl-3[3-dimethylamino)-propoxy]-1H-indazole) Hydrochloride

Toronto Research Chemicals - B209950

A nonsteroidal anti-inflammatory drug with local anaesthetic, analgesic and antipyretic properties.

参考文献

• Passali, D., et al.: Clin. Ther., 23, 1508 (2001)
• Erbagci, Z., et al.: J. Dermatol., 31, 376 (2001)
• Sarveiya, V., et al.: Eur. J. Pharm. Sci., 26, 39 (2001)