27025-49-6

• 常用中文名：羧苄青霉素苯酯
• 常用英文名：CARBENICILLIN PHENYL SODIUM
• CAS号：27025-49-6
• 分子式：C₂₃H₂₂N₂O₆S
• 分子量：454.49600
• 相关类别： 原料药 抗生素类药物 青霉素类药
• 发布时间：2018-08-27 18:15:50
• 更新时间：2024-01-13 22:16:24

名称

• 中文名: 羧苄青霉素苯酯
• 英文名: carfecillin
• 英文别名: Carfecilina [INN-Spanish]; Carfecilline; (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(3-oxo-3-phenoxy-2-phenylpropanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; Carbenicillin phenyl; Carfecilline [INN-French]; Carfecillinum; Carfecillinum [INN-Latin]; Carbenicillin phenyl ester; Carfecilina

物化性质

• 密度: 1.44g/cm3
• 沸点: 770.9ºC at 760mmHg
• 分子式: C₂₃H₂₂N₂O₆S
• 分子量: 454.49600
• 闪点: 420ºC
• 精确质量: 454.12000
• PSA: 141.80000
• LogP: 2.78570
• 蒸汽压: 5.33E-25mmHg at 25°C
• 折射率: 1.672
• 储存条件: 库房低温通风干燥
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:2

  3.氢键受体数量:7

  4.可旋转化学键数量:7

  5.互变异构体数量:4

  6.拓扑分子极性表面积:138

  7.重原子数量:32

  8.表面电荷:0

  9.复杂度:774

  10.同位素原子数量:0

  11.确定原子立构中心数量:3

  12.不确定原子立构中心数量:1

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : ON9109000 CHEMICAL NAME : Malonamic acid, N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3 .2.0)hept-6-yl)-2- phenyl-, 1-phenyl ester CAS REGISTRY NUMBER : 27025-49-6 LAST UPDATED : 199612 DATA ITEMS CITED : 3 MOLECULAR FORMULA : C23-H22-N2-O6-S MOLECULAR WEIGHT : 454.53 WISWESSER LINE NOTATION : T45 ANV ESTJ CMVYR&VOR& F1 F1 GVQ HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 980 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ANTBAL Antibiotiki. (Moscow, USSR) V.1-29, 1956-84. For publisher information, see AMBIEH. Volume(issue)/page/year: 25,513,1980 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 3924 mg/kg TOXIC EFFECTS : Blood - agranulocytosis Blood - thrombocytopenia REFERENCE : ANTBAL Antibiotiki. (Moscow, USSR) V.1-29, 1956-84. For publisher information, see AMBIEH. Volume(issue)/page/year: 25,513,1980 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 728 mg/kg TOXIC EFFECTS : Blood - agranulocytosis Blood - thrombocytopenia REFERENCE : ANTBAL Antibiotiki. (Moscow, USSR) V.1-29, 1956-84. For publisher information, see AMBIEH. Volume(issue)/page/year: 25,513,1980

合成路线

551-16-6 21601-78-5 ~% 27025-49-6

文献：Clayton; Cole; Elson; Hardy; Mizen; Sutherland Journal of medicinal chemistry, 1975 , vol. 18, # 2 p. 172 - 177

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