1553-60-2

• 常用中文名：异丁芬酸
• 常用英文名：Ibufenac
• CAS号：1553-60-2
• 分子式：C₁₂H₁₆O₂
• 分子量：192.254
• 发布时间：2018-02-21 08:00:00
• 更新时间：2024-01-02 18:41:01
• 伊布芬酸(Dytransin)是一种非甾体类抗类风湿药物,可以用作镇痛和抗炎剂[1]。

名称

• 中文名: 异丁芬酸
• 英文名: ibufenac
• 中文别名: 4-异丁基苯乙酸
• 英文别名: [4-(2-methylpropyl)phenyl]acetic acid; (p-isobutylphenyl)aceticacid; Benzeneacetic acid, 4-(2-methylpropyl)-; ibufenac; 2-[4-(2-methylpropyl)phenyl]acetic acid; 4-Isobutylphenylacetic acid; (4-Isobutylphenyl)acetic acid

物化性质

• 密度: 1.0±0.1 g/cm3
• 沸点: 312.2±11.0 °C at 760 mmHg
• 熔点: 85-87ºC
• 分子式: C₁₂H₁₆O₂
• 分子量: 192.254
• 闪点: 209.3±14.4 °C
• 精确质量: 192.115036
• PSA: 37.30000
• LogP: 3.38
• 蒸汽压: 0.0±0.7 mmHg at 25°C
• 折射率: 1.525
• 储存条件: 2-8°C
• 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:2

  4.可旋转化学键数量:4

  5.互变异构体数量:无

  6.拓扑分子极性表面积:37.3

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:179

  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:0

  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

生物活性

• 描述: 伊布芬酸(Dytransin)是一种非甾体类抗类风湿药物,可以用作镇痛和抗炎剂[1]。
• 相关类别:
  信号通路 >> 其他 >> 其他
  研究领域 >> 炎症/免疫
• 参考文献:

  [1]. S S Adams, et al. Some aspects of the pharmacology of ibufenac, a non-steroidal anti-inflammatory agent. J Pharm Pharmacol. 1968 Apr;20(4):305-12.

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : AI4200000 CHEMICAL NAME : Acetic acid, (p-isobutylphenyl)- CAS REGISTRY NUMBER : 1553-60-2 LAST UPDATED : 199801 DATA ITEMS CITED : 6 MOLECULAR FORMULA : C12-H16-O2 MOLECULAR WEIGHT : 192.28 WISWESSER LINE NOTATION : QV1R D1Y1&1 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 : Biochemical - Metabolism (Intermediary) - effect on inflammation or mediation of inflammation REFERENCE : OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 8,481,1974 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 860 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 2,22,1968 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1800 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NATUAS Nature. (Nature Subscription Dept., POB 1018, Manasguan, NJ 08736) V.1- 1869- Volume(issue)/page/year: 200,271,1963 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 670 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 8,481,1974 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1130 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 2,22,1968 ** OTHER MULTIPLE DOSE TOXICITY DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Mammal - dog DOSE/DURATION : 29120 mg/kg/26W-I TOXIC EFFECTS : Gastrointestinal - other changes REFERENCE : NATUAS Nature. (Nature Subscription Dept., POB 1018, Manasguan, NJ 08736) V.1- 1869- Volume(issue)/page/year: 200,271,1963

安全

• 危害码 (欧洲): Xi
• 危险品运输编码: NONH for all modes of transport
• RTECS号: AI4200000
• 海关编码: 2916399090

合成路线

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海关

海关编码	2916399090
中文概述	2916399090 其他芳香一元羧酸. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素	品名, 成分含量, 用途, 丙烯酸、丙烯酸盐或酯应报明包装
Summary	2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%