[4-(carbamoylamino)phenyl]arsonic acid

• ChemBase编号: 163610
• 分子式: C7H9AsN2O4
• 平均质量: 260.07896
• 单一同位素质量: 259.97782778
• SMILES: [As](=O)(c1ccc(cc1)NC(=O)N)(O)O
• Canonical SMILES: NC(=O)Nc1ccc(cc1)[As](=O)(O)O
• InChI: InChI=1S/C7H9AsN2O4/c9-7(11)10-6-3-1-5(2-4-6)8(12,13)14/h1-4H,(H3,9,10,11)(H2,12,13,14)
• InChIKey: WWXBHTZSYYGCSG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [4-(carbamoylamino)phenyl]arsonic acid
• IUPAC传统名: carbarsone
• 别名: [4-[(Aminocarbonyl)amino]phenyl]arsonic Acid; N-Carbamoylarsanilic Acid; 4-Carbamylaminophenylarsonic Acid; 4-Ureidobenzenearsonic Acid; 4-Ureidophenylarsonic Acid; Amabevan; Ameban; Amebarsene; Amebarsone; Amibiarson; Aminarson; Aminarsone; Aminoarson; Arsambide; Carbarson; Fenarsone; Histocarb; Kutan; Leucarsone; NSC 32868; Pentarsone; p-Arsonophenylurea; p-Carbamidobenzenearsonic Acid; p-Ureidobenzenearsonic Acid; Carbarsone

登记号

• CAS号: 121-59-5
• PubChem SID: 162257745
• PubChem CID: 8480

理论计算性质

• Acid pKa: 3.4962044
• 质子受体: 4
• 质子供体: 4
• LogD (pH = 5.5): -1.8353872
• LogD (pH = 7.4): -2.2877238
• Log P: -0.0173
• 摩尔折射率: 45.5861 cm^3
• 极化性: 20.182074 Å^3
• 极化表面积: 112.65 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - C175770

Carbarsone is an antiamebic. Carbarsone is used as antihistomonad in turkeys.

参考文献

• Khalifah, R., et al.: Biochemistry, 16, 2241 (1977)
• Supuran, C., et al.: Eur. J. Med. Chem., 31, 439 (1977)
• Supuran, C., et al.: J. Enzyme Inhib., 12, 37 (1977)