sodium (2S,5R,6R)-6-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

• ChemBase编号: 73172
• 分子式: C16H18N3NaO5S
• 平均质量: 387.38599
• 单一同位素质量: 387.08648597
• SMILES: c1(ccc(cc1)[C@H](C(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)[O-])N)O.[Na+]
• Canonical SMILES: N[C@H](c1ccc(cc1)O)C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)[O-])(C)C.[Na+]
• InChI: InChI=1S/C16H19N3O5S.Na/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);/q;+1/p-1/t9-,10-,11+,14-;/m1./s1
• InChIKey: BYHDFCISJXIVBV-YWUHCJSESA-M

名称和登记号

名称

• IUPAC标准名: sodium (2S,5R,6R)-6-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
• IUPAC传统名: sodium amoxicillin(1-)
• 别名: Amox; Amoxycillin; Amoxicillin

登记号

• CAS号: 34642-77-8
• PubChem SID: 162038092
• PubChem CID: 23663126

理论计算性质

• Acid pKa: 3.2314606
• 质子受体: 6
• 质子供体: 3
• LogD (pH = 5.5): -2.3092988
• LogD (pH = 7.4): -2.5697672
• Log P: -2.3101761
• 摩尔折射率: 100.3415 cm^3
• 极化性: 35.41004 Å^3
• 极化表面积: 135.79 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

安全信息

• 保存条件: -20°C

产品相关信息

• 成盐信息: Sodium salt

详细说明

Selleck Chemicals - S2565

Research Area: Infection
Biological Activity:
Amoxicillin sodium (Amox) is a moderate- spectrum, bacteriolytic, β-lactam antibiotic. Amoxicillin sodium (Amox) is used to treat bacterial infections caused by susceptible microorganisms. Amoxicillin sodium (Amox) is usually the drug of choice within the class because it is better absorbed, following oral administration, than other β-lactam antibiotics. Amoxicillin sodium (Amox) is susceptible to degradation by β-lactamase-producing bacteria, which are resistant to a broad spectrum of β-lactam antibiotics, such as penicillin. For this reason, it is often combined with clavulanic acid. Amoxicillin sodium (Amox) acts by inhibiting the synthesis of bacterial cell walls. Amoxicillin sodium (Amox) inhibits cross-linkage between the linear peptidoglycan polymer chains that make up a major component of the cell walls of both Gram-positive and Gram-negative bacteria. [1]

参考文献

• http://en.wikipedia.org/wiki/Amoxicillin