(6R,7R)-7-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido]-8-oxo-3-[(1E)-prop-1-en-1-yl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrate

• ChemBase编号: 73092
• 分子式: C18H21N3O6S
• 平均质量: 407.44084
• 单一同位素质量: 407.11510641
• SMILES: [C@@H]12N(C(=C(CS1)/C=C/C)C(=O)O)C(=O)[C@H]2NC(=O)[C@@H](c1ccc(cc1)O)N.O
• Canonical SMILES: C/C=C/C1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)[C@@H](c1ccc(cc1)O)N.O
• InChI: InChI=1S/C18H19N3O5S.H2O/c1-2-3-10-8-27-17-13(16(24)21(17)14(10)18(25)26)20-15(23)12(19)9-4-6-11(22)7-5-9;/h2-7,12-13,17,22H,8,19H2,1H3,(H,20,23)(H,25,26);1H2/b3-2+;/t12-,13-,17-;/m1./s1
• InChIKey: ALYUMNAHLSSTOU-CIRGZYLNSA-N

名称和登记号

名称

• IUPAC标准名: (6R,7R)-7-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido]-8-oxo-3-[(1E)-prop-1-en-1-yl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrate
• IUPAC传统名: cefprozil hydrate
• 别名: Cefprozil; Cefzil; Cefprozil hydrate

登记号

• CAS号: 121123-17-9
• PubChem SID: 162038012
• PubChem CID: 6436628

理论计算性质

• Acid pKa: 3.5293207
• 质子受体: 6
• 质子供体: 4
• LogD (pH = 5.5): -1.9168022
• LogD (pH = 7.4): -2.175604
• Log P: -1.9216894
• 摩尔折射率: 101.2731 cm^3
• 极化性: 38.68424 Å^3
• 极化表面积: 132.96 Å^2
• 可自由旋转的化学键: 5
• 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: hydrate

详细说明

Selleck Chemicals - S2544

Research Area: Infection
Biological Activity:
Cefprozil hydrate (Cefzil) is a second-generation cephalosporin type antibiotic. Cefprozil hydrate (Cefzil) can be used to treat bronchitis, ear infections, skin infections, and other bacterial infections. Although there is a widely quoted cross-allergy risk of 10% between cephalosporins and penicillin, no increased risk for cross-allergy for cefprozil hydrate (Cefzil) and several other second-generation or later cephalosporins were shown. [1][2]

参考文献

• Pichichero ME et al. J Fam Pract. 2006 Feb; 55(2):106-12.