基本情報
- CAS
13412-64-1- 標準SMILES
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-].O.[Na+]- InChIKey
SIGZQNJITOWQEF-VICXVTCVSA-M- 分子式
- C19H18Cl2N3NaO6S
- 平均分子量
- 510.3 g/mol
- 単同位体質量
- 509.0191061
概要
Dicloxacillin sodium monohydrate is a hydrate. It contains a dicloxacillin sodium.
名称と識別子
- 優先名称
- Dicloxacillin sodium hydrate
- IUPAC
- sodium;(2S,5R,6R)-6-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydrate
- 現地名
- ジクロキサシリンナトリウム水和物標準品
- 英語名
- Dicloxacillin sodium
- 分子式
- C19H20Cl2N3NaO6S
- 分子量
- 512.33
名称と別名
Dicloxacillin sodium hydrate13412-64-1DICLOXACILLIN SODIUM MONOHYDRATEDicloxacillin sodium salt monohydrateDicloxacillin sodium salt hydrateBrispenSodium dicloxacillin monohydrateDynapenDiclocilDigloxillineBiocloxinConstaphyl
名称をさらに表示
ジクロキサシリンナトリウム水和物標準品ジクロキサシリンナトリウム塩 水和物ジクロキサシリンナトリウム一水和物標準品ジクロキサシリン ナトリウム塩 水和物ジクロキサシリン ナトリウム塩 一水和物ジクロキサシリンナトリウム水和物ジクロキサシリンナトリウム水和物 (JP17)Dicloxacillin sodiumDicloxacillin sodium RSDicloxacillin sodium CRSDICLOXACILLIN SODIUM USPDicloxacillin Sodium (500 mg)Dicloxacillin Sodium (300 mg)icloxacillinsodiummonohydrateDicloxacillin sodium USP/EP/BPDicloxacillin Sodium (1189009)DICLOXACILLIN SODIUM WHO(CRM STANDARD)
DTXSID2049002Dicloxacillin (Sodium hydrate)sodium (2S,5R,6R)-6-(3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrateNovapenNoxabenStampenCiclexClocil
物性
構造計算による物性
- 極性表面積
- 142 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 8
- 回転可能結合数
- 4
- 重原子数
- 32
- 形式電荷
- 0
- 複雑度
- 752
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
- 222 · 222-225°C
- 比旋光度
- 20 · D20 +127.2° (water)
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- 2 O: · H2O: 可溶性50mg/mL
- 外見
- 粉
- 色
- ホワイトからオフホワイト
- 水溶解度
- 水に溶ける
- BRN
- 4778711 · 4778711
- 安定性
- Hygroscopic
- 主な用途
- 臨床検査
- InChIKey
- SIGZQNJITOWQEF-VICXVTCVSA-M
- SMILES
- [Na+].[H]O[H].Cc1onc(c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C([O-])=O)-c4c(Cl)cccc4Cl
- CAS データベース
- 13412 · 13412-64-1(CAS DataBase Reference)
化学的性質
化学的特性White to off-white crystalline powder
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
H315 (91.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory InformationDicloxacillin Sodium Monohydrate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety Information
IMAP assessments - 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-, monosodium salt, monohydrate, [2S-(2.alpha.,5.alpha.,6.beta.)]-: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (91.5%)
安全データ
- wgk
- 2
- rtecs
- XH8925000
- 毒性
- LD50 in mice (g/kg): 0.9 i.v.; in rats (g/kg): 0.63 i.p.; >5 orally (Gloxhuber)
- hs_code
- 29411099
- risk_code
- 36/37/38-42/43
- hazard_code
- Xn
- safety_code
- 22-26-36/37-45
- Hazard Classifications
- Eye Irrit. 2Resp. Sens. 1Skin Irrit. 2STOT SE 3
化学と産業
応用分野
使用Dicloxacillin sodium salt is used in the treatment of staphylococci resistant to penicillin G. Dicloxacillin binds to specific penicillin-binding proteins 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.
一般的な説明The substitution of chlorine atoms on both carbons orthoto the position of attachment of the phenyl ring to the isoxazolering is presumed to enhance further the stability ofthe oxacillin congener dicloxacillin sodium, [3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]penicillin sodiummonohydrate (Dynapen, Pathocil, Veracillin) and toproduce high plasma concentrations of it. Its medicinalproperties and use are similar to those of cloxacillinsodium. Progressive halogen substitution, however, alsoincreases the fraction bound to protein in the plasma, potentiallyreducing the concentration of free antibiotic inplasma and tissues. Its medicinal properties and use are thesame as those of cloxacillin sodium.
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