sodium (2S,5R,6R)-6-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-amido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrate

• ChemBase编号: 73105
• 分子式: C19H19ClN3NaO6S
• 平均质量: 475.87843
• 单一同位素质量: 475.0580783
• SMILES: [C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)[O-])(C)C)NC(=O)c1c(onc1c1ccccc1Cl)C.[Na+].O
• Canonical SMILES: [O-]C(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)c1c(C)onc1c1ccccc1Cl.O.[Na+]
• InChI: InChI=1S/C19H18ClN3O5S.Na.H2O/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23;;/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27);;1H2/q;+1;/p-1/t13-,14+,17-;;/m1../s1
• InChIKey: KCUWTKOTPIUBRI-VICXVTCVSA-M

名称和登记号

名称

• IUPAC标准名: sodium (2S,5R,6R)-6-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-amido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrate
• IUPAC传统名: sodium cloxacillin(1-) hydrate
• 别名: Cloxapen; Cloxacap; Orbenin; Cloxacillin sodium

登记号

• CAS号: 7081-44-9
• PubChem SID: 162038025
• PubChem CID: 23675743

理论计算性质

• Acid pKa: 3.7497845
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 0.55099535
• LogD (pH = 7.4): -0.9830029
• Log P: 2.3017397
• 摩尔折射率: 117.4742 cm^3
• 极化性: 41.823692 Å^3
• 极化表面积: 115.57 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

详细说明

Selleck Chemicals - S2564

Research Area: Infection
Biological Activity:
Cloxacillin sodium (Cloxacap) is a sodium salt of cloxacillin that is a penicillinase-resistant, acid resistant, semi-synthetic penicillin. Cloxacillin sodium exerts a bactericidal action against susceptible microorganisms during the stage of active multiplication. Cloxacillin sodium acts through the inhibition of biosynthesis of cell wall mucopeptides. Cloxacillin sodium is readily absorbed following i.m. administration and rapidly reaches therapeutically effective blood levels. Serum levels are approximately proportional to dosage. Peak plasma concentrations of 15 µg/ml have been observed 30 minutes after an i.m. injection of cloxacillin (Cloxapen, Cloxacap and Orbenin) 500 mg; plasma concentrations may be doubled by administration of a doubled dose. At the end of a 3-hour i.v. infusion of cloxacillin (Cloxapen, Cloxacap and Orbenin) 250 mg given to normal subjects, its plasma concentrations were 15 µg/ml. After 2 hours, plasma concentrations were 0.6 µg/ml. [1]

参考文献

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