1-{[(6R,7R)-7-[2-(2-amino-1,3-thiazol-4-yl)-2-[(1-carboxy-1-methylethoxy)imino]acetamido]-2-carboxylato-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}pyridin-1-ium pentahydrate

• ChemBase编号: 155510
• 分子式: C22H32N6O12S2
• 平均质量: 636.65248
• 单一同位素质量: 636.15196249
• SMILES: CC(C)(C(=O)O)O/N=C(\c1csc(n1)N)/C(=O)N[C@H]1[C@@H]2N(C1=O)C(=C(CS2)C[n+]1ccccc1)C(=O)[O-].O.O.O.O.O
• Canonical SMILES: O=C1[C@@H](NC(=O)/C(=N/OC(C(=O)O)(C)C)/c2csc(n2)N)[C@@H]2N1C(=C(CS2)C[n+]1ccccc1)C(=O)[O-].O.O.O.O.O
• InChI: InChI=1S/C22H22N6O7S2.5H2O/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27;;;;;/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34);5*1H2/t14-,18-;;;;;/m1...../s1
• InChIKey: NMVPEQXCMGEDNH-OKDPUKRASA-N

名称和登记号

名称

• IUPAC标准名: 1-{[(6R,7R)-7-[2-(2-amino-1,3-thiazol-4-yl)-2-[(1-carboxy-1-methylethoxy)imino]acetamido]-2-carboxylato-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}pyridin-1-ium pentahydrate
• IUPAC传统名: ceftazidime pentahydrate
• 别名: 1-[[(6R,7R)-7-[[(2Z)-(2-amino-4-thiazolyl)[(1-carboxy-1-methylethoxy)imino]acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]pyridinum; Ceftazidime hydrate

登记号

• MDL号: MFCD00153936
• PubChem SID: 162249648; 24892644
• PubChem CID: 5362051

理论计算性质

• Acid pKa: 2.7689743
• 质子受体: 10
• 质子供体: 3
• LogD (pH = 5.5): -5.4758763
• LogD (pH = 7.4): -6.9236097
• Log P: -4.5463347
• 摩尔折射率: 143.8809 cm^3
• 极化性: 50.377937 Å^3
• 极化表面积: 191.22 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

分子性质

安全信息

• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 42/43
• 安全公开号: 22-36/37-45
• GHS危险品标识: GHS08
• GHS警示词: Danger
• GHS危险声明: H317-H319-H334
• GHS警示性声明: P261-P280-P305 + P351 + P338-P342 + P311
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 纯度: 90.0-105.0%
• 其他组分: 10% sodium carbonate as stabilizer
• Empirical Formula (Hill Notation): C22H22N6O7S2 · xH2O

详细说明

Sigma Aldrich - C3809

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
General description
Broad spectrum antibiotic; third generation cephalosporin
Application
Ceftazidime hydrate is used to study the effect of expression, binding and inhibition of penicillin-binding proteins especially PBP3 on bacterial cell wall mucopeptide synthesis. It is also used in bacterial susceptibility studies 1 and to select mutant colonies of interest 2.
Biochem/physiol Actions
Cephalosporins, such as ceftazidime , disrupt the synthesis of the peptidoglycan layer of bacterial cell walls.