oxo[(oxoalumanyl)oxy]alumane silanedione hydrate

• ChemBase编号: 398
• 分子式: Al2H4O6Si
• 平均质量: 182.076736
• 单一同位素质量: 181.94079164
• SMILES: [Si](=O)=O.[AlH](=O)O[AlH]=O.O
• Canonical SMILES: O=[AlH]O[AlH]=O.O=[Si]=O.O
• InChI: InChI=1S/2Al.O2Si.H2O.3O/c;;1-3-2;;;;/h;;;1H2
• InChIKey: SVPXDRXYRYOSEX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: oxo[(oxoalumanyl)oxy]alumane silanedione hydrate
• IUPAC传统名: oxo[(oxoalumanyl)oxy]alumane silica hydrate; aluminium oxide silica hydrate
• 商标名: Bentone 34; Ivy Block; IvyBlock
• 别名: 皂土, 钠盐形式; Bentoquatam; Sodium bentonite; Bentonite, sodium form

登记号

• CAS号: 1340-69-8; 1302-78-9
• EC号: 215-108-5
• MDL号: MFCD00130611
• 默克索引号: 141055
• PubChem SID: 160963861; 46508055
• PubChem CID: 517273

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.4684
• LogD (pH = 7.4): 2.4684
• Log P: 2.4684
• 摩尔折射率: 4.236 cm^3
• 极化性: 6.522983 Å^3
• 极化表面积: 43.37 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Soluble

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 危险公开号: 36/37/38
• 安全公开号: 22-26-36
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305+P351+P338-P302+P352-P321-P405-P501A

详细说明

DrugBank - DB00516

• Drug Groups: approved
• Description: Bentoquatam is a topical medication intended to act as a shield against exposure to the irritating substance urushiol, found in plants such as poison ivy or poison oak. Bentoquatam contains bentonite, a clay, and is only effective as long as the film is visible on the skin.
• Indication: Used to prevent or reduce the severity of allergic contact dermatitis due to urushiol, the allergenic resin of poison ivy, poison oak, and poison sumac.
• Pharmacology: Bentoquatam protects the skin like a shield against poison ivy, poison oak, and poison sumac by physically blocking skin contact with their resin. The best protection against getting these conditions is to avoid contact with these plants. This medicine does not dry oozing and weeping caused by the rash of poison ivy, poison oak, or poison sumac.
• Toxicity: Rare side effects include mild erythema (mild redness of skin).
• Affected Organisms: Humans and other mammals
• References: Scott MJ, Heumann MA, DeBruyckere DM, Brundage TW, Kohn MA: The feasibility of using skin protectant products and education to prevent poison oak. Wilderness Environ Med. 2002 Fall;13(3):206-8. [Pubmed]
• External Links: Wikipedia; Drugs.com

参考文献

• Scott MJ, Heumann MA, DeBruyckere DM, Brundage TW, Kohn MA: The feasibility of using skin protectant products and education to prevent poison oak. Wilderness Environ Med. 2002 Fall;13(3):206-8. Pubmed