基本情報
- CAS
23736-58-5- 標準SMILES
Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O.Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O.c1ccc(CNCCNCc2ccccc2)cc1- InChIKey
COCFKSXGORCFOW-VZHMHXRYSA-N- 分子式
- C54H56Cl2N8O10S2
- 平均分子量
- 1,112.1 g/mol
- 単同位体質量
- 1,110.2937877
概要
Cloxacillin Benzathine is the benzathine salt form of a semisynthetic beta-lactamase resistant penicillin antibiotic with antibacterial activity. Cloxacillin binds to and inactivates penicillin-binding proteins (PBPs) located on the inner membrane of the bacterial cell wall, thereby preventing the cross-linkage of peptidoglycans, which are critical components of the bacterial cell wall. This leads to a weakening of the bacterial cell wall, eventually causing bacterial cell lysis.
名称と識別子
- 優先名称
- Cloxacillin Benzathine
- IUPAC
- bis((2S,5R,6R)-6-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid);N,N'-dibenzylethane-1,2-diamine
- 現地名
- クロキサシリンベンザチン
- 英語名
- Cloxacillin benzathine
- 分子式
- C35H38ClN5O5S
- 分子量
- 676.23
名称と別名
Cloxacillin benzathine23736-58-5Benzathine cloxacillinCloxacillin benzathine saltAC79L7PV2GCloxacillin benzathine (USP)Cloxacillin Benzathine [USP]DTXSID101020014Dry-CloxOrbenin DCOrbenin-DCRefChem:57090
名称をさらに表示
クロキサシリンベンザチンmicrosterileUnii-ac79L7pv2gBenzathine saltEinecs 245-855-2Clozoprim penicillinCloxacillin BensathineChlorfenapyr penicillinLinchlorobenzylpenicillin
Dry-Clox Intramammary InfusionDTXCID201477864cloxacillin salt with dibenzylethylenediamine245-855-2CHEBI:51351Cloxacillin Benzathine (2:1)(2S,5R,6R)-6-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;N,N'-dibenzylethane-1,2-diamine(2S,5R,6R)-6-(3-(o-Chlorophenyl)-5-methyl-4-isoxazolecarboxamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid compound with N,N'-dibenzylethylenediamine (2:1)
データベース識別子
物性
構造計算による物性
- 極性表面積
- 300 Ų
- 水素結合供与体数
- 6
- 水素結合受容体数
- 16
- 回転可能結合数
- 15
- 重原子数
- 76
- 形式電荷
- 0
- 複雑度
- 893
実験および物理化学的性質
Animal DrugsFDA approved animal drugs -> Active ingredient
物理化学的性質
- 融点
- 145 °C · >145°C (dec.)
- 貯蔵温度
- Refrigerator
- 溶解性
- メタノール（微量、超音波処理）、水（微量）
- 外見
- 個体
- 色
- ホワイトからオフホワイト
- InChIKey
- OUMOALQYXBRQFX-UDEWTJSRNA-N
- SMILES
- N([C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@]12[H])C(C1=C(ON=C1C1C=CC=CC=1Cl)C)=O.C(C1C=CC=CC=1)NCCNCC1C=CC=CC=1 |&1:1,5,13,r|
- CAS データベース
- 23736 · 23736-58-5
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory InformationCloxacillin benzathine: Does not have an individual approval but may be used under an appropriate group standard
Other Safety Information
IMAP assessments - 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-, [2S-(2.alpha.,5.alpha.,6.beta.)]-, compound with N,N'-bis(phenylmethyl)-1,2-ethanediamine (2:1): Environment tier I assessment
Hazard Classes and CategoriesSkin Sens. 1 (100%)
安全データ
- hs_code
- 2941106000
化学と産業
薬理情報
MeSH Pharmacological ClassificationSubstances that inhibit the growth or reproduction of BACTERIA.
応用分野
説明Cloxacillin benzathine is a valuable half-synthesized antibiotic used in veterinary medicine to treat infections caused by Gram positive and Gram negative bacteria. Given its high bioactivity, this compound is generally used to prevent infection and treat bovine mastitis, one of the most common diseases in dairy animals. This chemical compound was usually crystallized by precipitation from solutions after the reaction of two raw materials. The SEM photos indicate that the products are general needle-like crystals with some aggregates among them[1-2].
使用Cloxacillin Benzathine is a salt of Cloxacillin is an antibiotic that belongs to the group of the isoxazolylpenicillins. Cloxacillin is used to treat infections caused by species of staphylococci that produce beta-lactamase due to its inhibitory effects on beta-lactamase binding.
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