(2S,5R,6R)-6-[(2R)-2-carboxy-2-(thiophen-3-yl)acetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

• ChemBase编号: 1384
• 分子式: C15H16N2O6S2
• 平均质量: 384.42734
• 单一同位素质量: 384.04497824
• SMILES: S1[C@H]2N([C@H](C1(C)C)C(=O)O)C(=O)[C@H]2NC(=O)[C@@H](c1ccsc1)C(=O)O
• Canonical SMILES: O=C([C@@H](c1cscc1)C(=O)O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C
• InChI: InChI=1S/C15H16N2O6S2/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t7-,8-,9+,12-/m1/s1
• InChIKey: OHKOGUYZJXTSFX-KZFFXBSXSA-N

名称和登记号

名称

• IUPAC标准名: (2S,5R,6R)-6-[(2R)-2-carboxy-2-(thiophen-3-yl)acetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
• IUPAC传统名: ticarcillin
• 别名: 替卡西林; 替卡西林添加剂; Ticarcilina [inn-spanish]; Ticarcillin supplement; Ticarcilline [inn-french]; Ticarcillinum [inn-latin]; Ticarcillin; Ticarcillin; Ticarcillin Supplement

登记号

• CAS号: 34787-01-4
• EC号: 252-213-5
• MDL号: MFCD00864998
• PubChem SID: 24850647; 46505959; 160964844
• PubChem CID: 36921

理论计算性质

JChem

• Acid pKa: 3.0920584
• 质子受体: 6
• 质子供体: 3
• LogD (pH = 5.5): -3.1756372
• LogD (pH = 7.4): -5.9742513
• Log P: 0.5957988
• 摩尔折射率: 87.9253 cm^3
• 极化性: 34.58174 Å^3
• 极化表面积: 124.01 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 0.99
• LOG S: -3.73
• 溶解度: 7.16e-02 g/l

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-H334
• GHS警示性声明: P261-P280-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: for microbiology
• 有效期: (limited shelf life, expiry date on the label)
• Empirical Formula (Hill Notation): C15H16N2O6S2

详细说明

DrugBank - DB01607

• Drug Groups: approved
• Description: An antibiotic derived from penicillin similar to carbenicillin in action.
• Indication: For the treatment of bacterial infections.
• Pharmacology: Ticarcillin is a semisynthetic antibiotic with a broad spectrum of bactericidal activity against many gram-positive and gram-negative aerobic and anaerobic bacteria. Ticarcillin is, however, susceptible to degradation by ?-lactamases, and therefore, the spectrum of activity does not normally include organisms which produce these enzymes.
• Toxicity: As with other penicillins, neurotoxic reactions may arise when very high doses of ticarcillin are administered, especially in patients with impaired renal function.
• Affected Organisms: Enteric bacteria and other eubacteria
• Half Life: 1.1 hours
• Protein Binding: 45%
• External Links: Wikipedia; RxList; Drugs.com

Sigma Aldrich - 17778

Components
组分（每瓶足够用于 1000mL 培养基）：替卡西林 1.00mg
Application
推荐用于选择性增菌小肠结肠炎耶尔森菌的抗生素添加剂。