73151-29-8

• 常用中文名：硝酸芬替康唑
• 常用英文名：Fenticonazole nitrate
• CAS号：73151-29-8
• 分子式：C₂₄H₂₁Cl₂N₃O₄S
• 分子量：518.412
• 相关类别： 原料药 人工合成抗感染类药 抗真菌类药
• 发布时间：2018-06-28 14:48:26
• 更新时间：2024-01-02 19:10:32
• Fenticonazole硝酸盐是抗真菌化合物。

名称

• 中文名: 硝酸芬替康唑
• 英文名: fenticonazole nitrate
• 中文别名: 1-[2-(2,4-二氯苯基)-2-[[4-(苯硫代)苯基]甲氧基]乙基]-1H-咪唑硝酸盐; 1-[2-(2,4-二氯苯基)-2-[(4-苯基硫苯基)甲氧基]乙基]咪唑硝酸盐; 硝酸芬康唑
• 英文别名: 1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-[[4-(phenylthio)phenyl]methoxy]ethyl]-, nitrate (1:1); Lomexin; EINECS 277-302-6; 1-[2-(2,4-dichlorophenyl)-2-[(4-phenylsulfanylphenyl)methoxy]ethyl]imidazole,nitric acid; MFCD00941391; Falvin; REC 15/1476; Fenticonazole nitrate (USAN); Fenticonazole (Nitrate); Fenticonazole mononitrate; 1-(2-(2,4-Dichlorophenyl)-2-((4-(phenylthio)phenyl)methoxy)ethyl)-1H-imidazolium nitrate; 1-[2-(2,4-Dichlorophenyl)-2-{[4-(phenylsulfanyl)benzyl]oxy}ethyl]-1H-imidazol-1-ium nitrate

物化性质

• 密度: 1.26g/cm3
• 沸点: 637.2ºC at 760 mmHg
• 熔点: 135-137ºC
• 分子式: C₂₄H₂₁Cl₂N₃O₄S
• 分子量: 518.412
• 闪点: 339.2ºC
• 精确质量: 517.062988
• PSA: 118.40000
• LogP: 7.47470
• 外观性状: 白色-类白色晶体-粉末
• 折射率: 1.632
• 储存条件: Refrigerator
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:1

  3.氢键受体数量:6

  4.可旋转化学键数量:8

  5.互变异构体数量:无

  6.拓扑分子极性表面积118

  7.重原子数量:34

  8.表面电荷:0

  9.复杂度:524

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  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:2

• 更多:

  1.性状：白色结晶性粉末，无臭。

  2.熔点：136℃。

  3.溶解度：在20℃时的溶解度(mg/m1)：水＜0.1。乙醚＜0.1，乙醇30，氯仿300，二甲基甲酰胺600。

  4.UV最大吸收(甲醇)：252nm(ε13894)。

  5.pKa：6.54。

生物活性

• 描述: Fenticonazole硝酸盐是抗真菌化合物。
• 相关类别:
  信号通路 >> 抗感染 >> 真菌
  研究领域 >> 感染
• 参考文献:

  [1]. Fernandez-Alba, J., et al., Fenticonazole nitrate for treatment of vulvovaginitis: efficacy, safety, and tolerability of 1-gram ovules, administered as ultra-short 2-day regimen. J Chemother, 2004. 16(2): p. 179-86.

毒性和生态

毒理学数据: 急性毒性LD50小鼠，雄大鼠，雌大鼠(mg/kg)：1191，440，309腹腔注射；全部＞3000口服。 CHEMICAL IDENTIFICATION RTECS NUMBER : NI4780000 CHEMICAL NAME : Imidazole, 1-(2,4-dichloro-beta-(p-(phenylthio)benzyloxy)pheneth yl)-, nitrate CAS REGISTRY NUMBER : 73151-29-8 LAST UPDATED : 199403 DATA ITEMS CITED : 7 MOLECULAR FORMULA : C24-H20-Cl2-N2-O-S.H-N-O3 MOLECULAR WEIGHT : 518.44 WISWESSER LINE NOTATION : T5N CNJ A1YO1R DSR&&R BG DG &..H..N-O3 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : >3 gm/kg TOXIC EFFECTS : Lungs, Thorax, or Respiration - respiratory stimulation Gastrointestinal - hypermotility, diarrhea Skin and Appendages - hair REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 31,2145,1981 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 309 mg/kg TOXIC EFFECTS : Lungs, Thorax, or Respiration - respiratory stimulation Gastrointestinal - hypermotility, diarrhea Skin and Appendages - hair REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 31,2145,1981 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : >750 mg/kg TOXIC EFFECTS : Lungs, Thorax, or Respiration - respiratory stimulation Gastrointestinal - hypermotility, diarrhea Skin and Appendages - hair REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 31,2145,1981 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : >3 gm/kg TOXIC EFFECTS : Lungs, Thorax, or Respiration - respiratory stimulation Gastrointestinal - hypermotility, diarrhea Skin and Appendages - hair REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 31,2145,1981 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1191 mg/kg TOXIC EFFECTS : Lungs, Thorax, or Respiration - respiratory stimulation Gastrointestinal - hypermotility, diarrhea Skin and Appendages - hair REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 31,2145,1981 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Mammal - dog DOSE/DURATION : >1 gm/kg TOXIC EFFECTS : Lungs, Thorax, or Respiration - respiratory stimulation Gastrointestinal - hypermotility, diarrhea Skin and Appendages - hair REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 31,2145,1981 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Mammal - dog DOSE/DURATION : >500 mg/kg TOXIC EFFECTS : Lungs, Thorax, or Respiration - respiratory stimulation Gastrointestinal - hypermotility, diarrhea Skin and Appendages - hair REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 31,2145,1981

安全

• 危害码 (欧洲): Xi,Xn
• 风险声明 (欧洲): R36/37/38:Irritating to eyes, respiratory system and skin . R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
• 安全声明 (欧洲): S26
• 海关编码: 2942000000

制备

2,4-二氯苯-α-氯乙酮经氢硼化钠还原后，先和咪唑缩合，再和4-氯甲基二苯硫醚缩合，即得芬康唑。

海关

海关编码	2942000000