2-bis(2H5)phenylmethanesulfinylacetamide

• ChemBase编号: 174673
• 分子式: C15H15NO2S
• 平均质量: 273.3501
• 单一同位素质量: 273.08234973
• SMILES: c1ccccc1C([S@](=O)CC(=O)N)c1ccccc1
• Canonical SMILES: NC(=O)C[S@@](=O)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)/t19-/m1/s1
• InChIKey: YFGHCGITMMYXAQ-LJQANCHMSA-N

名称和登记号

名称

• IUPAC标准名: 2-bis(^2H₅)phenylmethanesulfinylacetamide
• IUPAC传统名: 2-[(R)-bis(^2H₅)phenylmethanesulfinyl]acetamide
• 别名: 2-[(R)-(Diphenylmethyl)sulfinyl]acetamide-d10; (-)-Modafinil-d10; (R)-(-)-Modafinil-d10; Armodafinil-d10; CEP 10952-d10; CRL 40982-d10; (R)-Modafinil-d10

登记号

• PubChem SID: 164230583
• PubChem CID: 71750751

理论计算性质

• Acid pKa: 8.8397665
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 1.5326362
• LogD (pH = 7.4): 1.517359
• Log P: 1.5328344
• 摩尔折射率: 77.3886 cm^3
• 极化性: 30.310509 Å^3
• 极化表面积: 60.16 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Dimethyl Sulfoxide; Methanol
• 外观: White Solid
• 熔点: 154-156°C

安全信息

• 保存条件: Controlled Substance, -20°C Freezer

详细说明

Toronto Research Chemicals - M482507

Labelled (R)-Modafinil. Used for treatment of excessive sleepiness, α1-adrenoceptor agonist.

参考文献

• Saletu, B., et al.: Int. J. Clin. Pharmacol. Res., 9, 183 (1989)
• Chemelli, R.M., et al.: Cell, 98, 437 (1989)
• Purnell, M., et al.: J. Sleep Res., 11, 219 (1989)
• Dinges, D., et al.: Curr. Med. Res. Opin., 22, 159 (2006)