1-hydrazinylphthalazine hydrochloride

• ChemBase编号: 109783
• 分子式: C8H9ClN4
• 平均质量: 196.63686
• 单一同位素质量: 196.05157399
• SMILES: Cl.NNc1nncc2c1cccc2
• Canonical SMILES: NNc1nncc2c1cccc2.Cl
• InChI: InChI=1S/C8H8N4.ClH/c9-11-8-7-4-2-1-3-6(7)5-10-12-8;/h1-5H,9H2,(H,11,12);1H
• InChIKey: ZUXNZUWOTSUBMN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-hydrazinylphthalazine hydrochloride
• IUPAC传统名: hydralazine hydrochloride
• 别名: 1-肼屈嗪盐酸盐; mono-HYDRAZINOPHTHALAZINE HYDROCHLORIDE; Hydralazine hydrochloride; 1(2H)-Phthalazinone hydrazone; 1-Hydrazinophthalazine hydrochloride; 1-Hydrazinylphthalazine hydrochloride; 1-hydrazinophthalazine hydrochloride; 1-Hydrazinylphthalazine Hydrochloride; 1(2H)-Phthalazinone Hydrazone Hydrochloride; 1-Phthalazinylhydrazine Hydrochloride; Apresoline Hydrochloride; Apulon; Hydralazine Chloride; Hydralazine Monohydrochloride; Lopres; Hydralazine Hydrochloride

登记号

• CAS号: 304-20-1
• EC号: 206-151-0
• MDL号: MFCD01457387; MFCD00135998
• Beilstein号: 3568329
• 默克索引号: 144763
• PubChem SID: 162089324
• PubChem CID: 9351

理论计算性质

• Acid pKa: 17.691456
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -0.17942812
• LogD (pH = 7.4): 0.71192616
• Log P: 0.7513803
• 摩尔折射率: 50.2348 cm^3
• 极化性: 18.632671 Å^3
• 极化表面积: 63.83 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Water
• 外观: White to Off-White Solid
• 熔点: 209 - 211°C; 273°C; 277-279°C; ca 275°C dec.
• 疏水性(logP): 1.023

安全信息

• 保存条件: -20°C Freezer
• RTECS编号: TH9000000
• 欧盟危险性物质标志: 有毒(Toxic) (T); X
• 联合国危险货物编号: UN2811
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): III
• 危险公开号: 22-40-63; R:25
• 安全公开号: 36/37; S:28-36/37/39-45-53
• TSCA收录: 是
• GHS危险品标识: GHS06; GHS08
• GHS危险声明: H301-H351-H361
• GHS警示性声明: P281-P301+P310-P321-P308+P313-P405-P501A

产品相关信息

• 纯度: 95%; 98%
• 成盐信息: HCl

详细说明

MP Biomedicals - 05212567

MP Biomedicals Rare Chemical collection

Toronto Research Chemicals - H716531

Hydralazine is a non-nucleoside analog that inhibits DNA methylation and reactivates the expression of tumor suppressor genes. Non-selective MAO-A/B inhibitor; semicarbazide-sensitive amine oxidase inhibitor. Antihypertensive.

参考文献

• Siedlecki, P., et al.: J. Med. Chem., 49, 678 (2006)
• Link, P., et al.: Cancer Res., 68, 9358 (2006)
• Singh, N., et al.: ChemMedChem., 4, 792 (2006)