(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-carboxylic acid hydrate sodium

• ChemBase编号: 132650
• 分子式: C19H20ClN3NaO6S
• 平均质量: 476.88637
• 单一同位素质量: 476.06590334
• SMILES: Cc1c(c(no1)c1ccccc1Cl)C(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O.O.[Na]
• Canonical SMILES: OC(=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/t13-,14+,17-;;/m1../s1
• InChIKey: KNNWTOJBVOKDPC-VICXVTCVSA-N

名称和登记号

名称

• IUPAC标准名: (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-carboxylic acid hydrate sodium
• IUPAC传统名: cloxacillin hydrate sodium
• 别名: 氯唑西林 钠盐 水合物; Cloxacillin sodium salt monohydrate

登记号

• CAS号: 7081-44-9
• EC号: 211-390-9
• MDL号: MFCD00150735
• Beilstein号: 5403885
• PubChem SID: 24893156; 24869851; 162226927
• PubChem CID: 16213036

理论计算性质

• Acid pKa: 3.7497845
• 质子受体: 5
• 质子供体: 2
• LogD (pH = 5.5): 0.55099535
• LogD (pH = 7.4): -0.9830029
• Log P: 2.3017397
• 摩尔折射率: 106.6371 cm^3
• 极化性: 41.93821 Å^3
• 极化表面积: 112.74 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

• RTECS编号: XH8920000
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 2
• 危险公开号: 36/37/38-42/43
• 安全公开号: 26-36
• GHS危险品标识: GHS07; GHS08
• GHS警示词: Danger
• GHS危险声明: H315-H317-H319-H334-H335
• 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

• 级别: VETRANAL™, analytical standard
• 适用性: suitable for 1694 per US EPA
• Empirical Formula (Hill Notation): C19H17ClN3NaO5S · H2O

详细说明

Sigma Aldrich - C9393

Application
Cloxacillin is a semi-synthetic antibiotic that is a chlorinated derivative of oxacillin. It is also known as cloxacillin sodium. It is used to treat infections caused by penicillin G-resistant staphylococci1. It has been used in studies of topical antibacterial agent for burn and crush wounds2.
Biochem/physiol Actions
Cloxacillin inhibits the last stage of bacterial cell wall synthesis by binding to certain penicillin-binding proteins (PBPs), which results in cell lysis. Cell lysis is mediated by bacterial cell wall autolytic enzymes. Cloxacillin may interfere with autolysin inhibitors. Cloxacillin is used as an AmpC β-lactamase inhibitor in combination with β-lactam antibiotics.
Cloxacillin is used as an AmpC β-lactamase inhibitor in combination with β-lactam antibiotics.

Sigma Aldrich - 46140

法律信息
VETRANAL 商标 Sigma-Aldrich Co. LLC