sodium (2S,5R,6R)-6-[3-(2,6-dichlorophenyl)-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: 154647
• 分子式: C19H18Cl2N3NaO6S
• 平均质量: 510.32349
• 单一同位素质量: 509.01910595
• SMILES: Cc1c(c(no1)c1c(cccc1Cl)Cl)C(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)[O-].O.[Na+]
• Canonical SMILES: [O-]C(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)c1c(C)onc1c1c(Cl)cccc1Cl.O.[Na+]
• InChI: InChI=1S/C19H17Cl2N3O5S.Na.H2O/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24;;/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28);;1H2/q;+1;/p-1/t13-,14+,17-;;/m1../s1
• InChIKey: SIGZQNJITOWQEF-VICXVTCVSA-M

名称和登记号

名称

• IUPAC标准名: sodium (2S,5R,6R)-6-[3-(2,6-dichlorophenyl)-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 dicloxacillin(1-) hydrate
• 别名: 双氯青霉素 钠盐 水合物; 双氯青霉素 钠盐 一水合物; Dicloxacillin sodium salt hydrate; Dicloxacillin sodium salt monohydrate

登记号

• CAS号: 13412-64-1
• EC号: 206-444-3
• MDL号: MFCD00167147
• Beilstein号: 4778711
• PubChem SID: 24894242; 24869911; 162248785
• PubChem CID: 23675786

理论计算性质

• Acid pKa: 3.7486086
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 1.1539227
• LogD (pH = 7.4): -0.3794561
• Log P: 2.9057844
• 摩尔折射率: 122.279 cm^3
• 极化性: 43.778053 Å^3
• 极化表面积: 115.57 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: false

分子性质

安全信息

• RTECS编号: XH8925000
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 2; 3
• 危险公开号: 36/37/38-42/43
• 安全公开号: 22-26-36/37-45
• GHS危险品标识: GHS07; GHS08
• GHS警示词: Danger
• GHS危险声明: H315-H319-H334-H335
• GHS警示性声明: P261-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
• Empirical Formula (Hill Notation): C19H16Cl2N3NaO5S · xH2O; C19H16Cl2N3NaO5S·H2O

详细说明

Sigma Aldrich - D9016

Application
Dicloxacillin is a β-lactamase resistant penicillin similar to oxacillin. Dicloxacillin has in vitro activity against gram-positive and gram-negative aerobic and anaerobic bacteria. It is resistant to penicillinase. It is used to study bacterial cell wall biosynthesis at the level of peptidogylcan cross-linking and to study mechanims of penicillinase (β-lactamase) resistance. It is used to study phenylbutazone plasma binding1 and extracellular and intracellular killing of Staphylococcus aureus2
Dicloxacillin is used to study bacterial cell wall biosynthesis at the level of peptidogylcan cross-linking and to study mechanims of penicillinase (β-lactamase) resistance.
Biochem/physiol Actions
Docloxacillin binds to specific penicillin-binding proteins (PBPs) in the bacterial cell wall and therefore inhibits the last stage of bacterial cell wall synthesis. Cell lysis, mediated by bacterial cell wall autolytic enzymes, is the result. Dicloxacillin may interfere with autolysin inhibitors .

Sigma Aldrich - 46182

法律信息
VETRANAL 商标 Sigma-Aldrich Co. LLC