13412-64-1

• 常用中文名：双氯西林钠
• 常用英文名：Dicloxacillin sodium
• CAS号：13412-64-1
• 分子式：C₁₉H₁₈Cl₂N₃NaO₆S
• 分子量：510.323
• 相关类别： 原料药 抗生素类药物 青霉素类药
• 发布时间：2018-03-04 08:00:00
• 更新时间：2024-01-04 13:51:50
• Dicloxacillin NaOH是青霉素类的窄谱β内酰胺抗生素, 可治疗革兰氏阳性菌感染, 有效对抗β-内酰胺酶产生的微生物如金黄色葡萄球菌。

名称

• 中文名: 双氯西林钠
• 英文名: dicloxacillin sodium monohydrate
• 中文别名: 双氯青霉素钠盐; 双氯西林钠/(2S,5R,6R)-3,3-二甲基-6-[5-甲基-3-(2,6-二氯苯基)-4-异唑甲酰氨基]-7-氧代-4-硫杂-1-氮杂双环[3.2.0]庚烷-2-甲酸钠
• 英文别名: 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxamido)-3,3-dimethyl-7-oxo-, monosodium salt, monohydrate; Dicloxacillin sodium salt monohydrate; Dicloxacillin sodium; MFCD00210902; Sodium 6-({[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrate (1:1:1); 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-, sodium salt, hydrate (1:1:1); EINECS 206-444-3; Dicloxacillin (Sodium hydrate)

物化性质

• 沸点: 692.4ºC at 760mmHg
• 熔点: 222-225°C
• 分子式: C₁₉H₁₈Cl₂N₃NaO₆S
• 分子量: 510.323
• 闪点: 372.5ºC
• 精确质量: 509.019104
• PSA: 150.10000
• LogP: 2.13190
• 外观性状: 白色至灰白色结晶粉末
• 储存条件: 2-8°C
• 分子结构:

  1、摩尔折射率：无可用的

  2、摩尔体积（cm³/mol）：无可用的

  3、等张比容（90.2K）：无可用的

  4、表面张力（dyne/cm）：无可用的

  5、介电常数：无可用的

  6、极化率（10^-24cm³）：无可用的

  7、单一同位素质量：509.019106 Da

  8、标称质量：509 Da

  9、平均质量：510.3235 Da

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：2

  2、 氢键供体数量：7

  3、 氢键受体数量：4

  4、 可旋转化学键数量：2

  5、 拓扑分子极性表面积（TPSA）：117

  6、 重原子数量：32

  7、 表面电荷：0

  8、 复杂度：752

  9、 同位素原子数量：0

  10、 确定原子立构中心数量：3

  11、 不确定原子立构中心数量：0

  12、 确定化学键立构中心数量：0

  13、 不确定化学键立构中心数量：0

  14、 共价键单元数量：3

• 更多:

  1. 性状：白色或淡黄色有异臭苦味的结晶性粉末

  2. 密度（g/mL,25/4℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：222-225

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：未确定

  8. 闪点（ºC）：未确定

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（kPa,25ºC）：未确定

  12. 饱和蒸气压（kPa,60ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：易溶于水，溶于甲醇、乙醇

生物活性

• 描述: Dicloxacillin NaOH是青霉素类的窄谱β内酰胺抗生素, 可治疗革兰氏阳性菌感染, 有效对抗β-内酰胺酶产生的微生物如金黄色葡萄球菌。
• 相关类别:
  信号通路 >> 抗感染 >> 细菌
  研究领域 >> 感染

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : XH8925000 CHEMICAL NAME : 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(3-(2,6-dichlorophenyl)-5-methyl- 4-isoxazolecarboxamido)-3,3-dimethyl-7-oxo-, monosodium salt, monohydrate CAS REGISTRY NUMBER : 13412-64-1 LAST UPDATED : 199701 DATA ITEMS CITED : 12 MOLECULAR FORMULA : C19-H16-Cl2-N3-O5-S.Na.H2-O MOLECULAR WEIGHT : 510.35 WISWESSER LINE NOTATION : T45 ANV ESTJ F1 F1 GVQ CMV- DT5NOJ C1 ER BG FG &-NA- HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Human - man DOSE/DURATION : 71 mg/kg/5D-I TOXIC EFFECTS : Behavioral - anorexia (human) Gastrointestinal - other changes Liver - jaundice, cholestatic REFERENCE : JCGADC Journal of Clinical Gastroenterology. (Raven Press, 1185 Ave. of the Americas, New York, NY 10036) Volume(issue)/page/year: 8,77,1986 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 3579 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 18,185,1971 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 630 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 15,322,1965 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 520 mg/kg TOXIC EFFECTS : Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - other changes Liver - other changes REFERENCE : JJANAX Japanese Journal of Antibiotics. (Japan Antibiotics Research Assoc., 2-20-8 Kamiosaki, Shinagawa-ku, Tokyo 141, Japan) V.21- 1968- Volume(issue)/page/year: 21,274,1968 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 4560 mg/kg TOXIC EFFECTS : Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - other changes Liver - other changes REFERENCE : JJANAX Japanese Journal of Antibiotics. (Japan Antibiotics Research Assoc., 2-20-8 Kamiosaki, Shinagawa-ku, Tokyo 141, Japan) V.21- 1968- Volume(issue)/page/year: 21,274,1968 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1 gm/kg TOXIC EFFECTS : Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - other changes Liver - other changes REFERENCE : JJANAX Japanese Journal of Antibiotics. (Japan Antibiotics Research Assoc., 2-20-8 Kamiosaki, Shinagawa-ku, Tokyo 141, Japan) V.21- 1968- Volume(issue)/page/year: 21,274,1968 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1100 mg/kg TOXIC EFFECTS : Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - other changes Liver - other changes REFERENCE : JJANAX Japanese Journal of Antibiotics. (Japan Antibiotics Research Assoc., 2-20-8 Kamiosaki, Shinagawa-ku, Tokyo 141, Japan) V.21- 1968- Volume(issue)/page/year: 21,274,1968 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 875 mg/kg TOXIC EFFECTS : Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - other changes Liver - other changes REFERENCE : JJANAX Japanese Journal of Antibiotics. (Japan Antibiotics Research Assoc., 2-20-8 Kamiosaki, Shinagawa-ku, Tokyo 141, Japan) V.21- 1968- Volume(issue)/page/year: 21,274,1968 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Mammal - dog DOSE/DURATION : >3 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JJANAX Japanese Journal of Antibiotics. (Japan Antibiotics Research Assoc., 2-20-8 Kamiosaki, Shinagawa-ku, Tokyo 141, Japan) V.21- 1968- Volume(issue)/page/year: 21,274,1968 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : >5 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JJANAX Japanese Journal of Antibiotics. (Japan Antibiotics Research Assoc., 2-20-8 Kamiosaki, Shinagawa-ku, Tokyo 141, Japan) V.21- 1968- Volume(issue)/page/year: 21,274,1968 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 600 mg/kg TOXIC EFFECTS : Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - other changes Liver - other changes REFERENCE : JJANAX Japanese Journal of Antibiotics. (Japan Antibiotics Research Assoc., 2-20-8 Kamiosaki, Shinagawa-ku, Tokyo 141, Japan) V.21- 1968- Volume(issue)/page/year: 21,274,1968 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4575 No. of Facilities: 73 (estimated) No. of Industries: 2 No. of Occupations: 7 No. of Employees: 1518 (estimated) No. of Female Employees: 606 (estimated)

安全

• 符号: GHS07, GHS08
• 信号词: Danger
• 危害声明: H315-H319-H334-H335
• 警示性声明: P261-P284-P304 + P340-P305 + P351 + P338-P342 + P311
• 个人防护装备: dust mask type N95 (US);Eyeshields;Faceshields;Gloves
• 危害码 (欧洲): Xn: Harmful;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S22-S26-S36/37-S45
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 2
• RTECS号: XH8925000
• 海关编码: 2941109900

制备

由邻硝基甲苯经氯化、还原、重氮化、置换、氯化、肟化、氯化、环合、水解、氯化，得到3-（2,6-二氯苯基）-5-甲基-4-异噁唑酰氯，再与6-APA缩合得到双氯西林（[3116-76-5]），最后用异辛酸钠成盐得到双氯西林钠。

海关

海关编码	2941109900