sodium 2-sulfanyl(2H4)ethane-1-sulfonate

• ChemBase编号: 172695
• 分子式: C2H5NaO3S2
• 平均质量: 164.17907
• 单一同位素质量: 163.9577803
• SMILES: SCCS(=O)(=O)[O-].[Na+]
• Canonical SMILES: SCCS(=O)(=O)[O-].[Na+]
• InChI: InChI=1S/C2H6O3S2.Na/c3-7(4,5)2-1-6;/h6H,1-2H2,(H,3,4,5);/q;+1/p-1
• InChIKey: XOGTZOOQQBDUSI-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: sodium 2-sulfanyl(^2H₄)ethane-1-sulfonate
• IUPAC传统名: sodium 2-sulfanyl(^2H₄)ethanesulfonate
• 别名: 2-Mercaptoethanesulfonic-d4 Acid Sodium Salt; 2-Mercapto-1-ethanesulfonic-d4 Acid Monosodium Salt; D 7093-d4; Mesnex-d4; Mistabron-d4; Mistabronco-d4; Mucofluid-d4; Sodium 2-Mercaptoethanesulfonate-d4; UCB 3983-d4; Uromitexan-d4; Mesna-d4 (may contain up to 10% disulfide)

登记号

• PubChem SID: 164228605
• PubChem CID: 45039698

理论计算性质

• Acid pKa: -1.1570375
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -2.7792103
• LogD (pH = 7.4): -2.7799933
• Log P: -0.40282443
• 摩尔折射率: 28.0085 cm^3
• 极化性: 12.126808 Å^3
• 极化表面积: 57.2 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: Water
• 外观: White to Off-White Solid
• 熔点: >240°C dec.

安全信息

• 保存注意事项: Unstable in solution

详细说明

Toronto Research Chemicals - M225752

Mesna reacts with acrolein and other urotoxic metabolites of oxazaphosphorines (cyclophosphamide or ifosfamide) to form stable, non-urotoxic compounds. Mesna does not have any antitumour activity, nor does it appear to interfere with the antitumour activi

参考文献

• Tekeres, M., et al.: Clin. Ther., 4, 56 (1981)
• Brock, N., et al.: Eur. J. Cancer Clin Oncol., 18, 1377 (1981)
• James, C.A., et al.: Br. J. Clin. Pharmacol., 23, 561 (1981)
• Schoenike, S.E., et al.: Clin. Pharm., 9, 179 (1981)