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62-44-2 分子结构
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N-(4-ethoxyphenyl)acetamide

ChemBase编号:3432
分子式:C10H13NO2
平均质量:179.21572
单一同位素质量:179.09462866
SMILES和InChIs

SMILES:
O(c1ccc(NC(=O)C)cc1)CC
Canonical SMILES:
CCOc1ccc(cc1)NC(=O)C
InChI:
InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)
InChIKey:
CPJSUEIXXCENMM-UHFFFAOYSA-N

引用这个纪录

CBID:3432 http://www.chembase.cn/molecule-3432.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
N-(4-ethoxyphenyl)acetamide
IUPAC传统名
phenacetin
商标名
Contradouleur
Achrocidin
Codempiral
Commotional
Contradol
别名
4'-乙氧基乙酰苯胺
N-(4-乙氧苯基)乙酰胺
乙酰乙氧基苯胺
乙酰对氨基苯乙醚
对乙氧基乙酰苯胺
对乙酰乙氧基苯胺
非那西丁
Acetophenetidin
Acetophenetidine
Acetophenetin
Acetphenetidin
Phenacetin
4-Acetophenetidide
Phenacetin
4'-Ethoxyacetanilide
4-(Acetylamino)phenetole
4-Ethoxy-1-acetylaminobenzene
4-Ethoxyacetanilide
4'-Ethoxyacetanilide
Aceto-4-phenetidine
Fenidina
Fenina
Kalmin
N-Acetyl-4-ethoxyaniline
N-Acetyl-p-ethoxyaniline
N-Acetyl-p-phenetidine
NSC 7651
Pertonal
Phenacetine
Phenazetin
Phenedina
Phenidin
Phenin
p-Ethoxyacetanilide
1-Acetyl-p-phenetidin
4′-Ethoxyacetanilide
N-(4-Ethoxyphenyl)acetamide
p-Acetophenetidide
Phenacetin
N-(4-ethoxyphenyl)acetamide
CAS号
62-44-2
EC号
200-533-0
MDL号
MFCD00009094
Beilstein号
1869238
默克索引号
147204
PubChem SID
160966871
24890660
46507394
24854118
24887192
PubChem CID
4754

理论计算性质

理论计算性质

JChem ALOGPS 2.1
Acid pKa 14.978987  质子受体
质子供体 LogD (pH = 5.5) 1.4100928 
LogD (pH = 7.4) 1.4100928  Log P 1.4100928 
摩尔折射率 52.1328 cm3 极化性 19.564053 Å3
极化表面积 38.33 Å2 可自由旋转的化学键
里宾斯基五规则 true 
Log P 1.62  LOG S -2.0 
溶解度 1.78e+00 g/l 

分子性质

分子性质

理化性质 安全信息 产品相关信息 生物活性(PubChem)
溶解度
Chloroform expand 查看数据来源
Methanol expand 查看数据来源
外观
White Solid expand 查看数据来源
熔点
133-136 °C(lit.) expand 查看数据来源
134-136°C expand 查看数据来源
135-137°C expand 查看数据来源
保存条件
-20°C expand 查看数据来源
Refrigerator expand 查看数据来源
保存注意事项
Hygroscopic expand 查看数据来源
RTECS编号
AM4375000 expand 查看数据来源
欧盟危险性物质标志
有毒(Toxic) 有毒(Toxic) (T) expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
德国WGK号
3 expand 查看数据来源
危险公开号
45-22 expand 查看数据来源
安全公开号
53-20-36-45 expand 查看数据来源
53-45 expand 查看数据来源
TSCA收录
expand 查看数据来源
GHS危险品标识
GHS07 expand 查看数据来源
GHS08 expand 查看数据来源
GHS警示词
Danger expand 查看数据来源
GHS危险声明
H302-H350 expand 查看数据来源
H350-H302 expand 查看数据来源
GHS警示性声明
P201-P308 + P313 expand 查看数据来源
P281-P264-P301+P312-P308+P313-P405-P501A expand 查看数据来源
个人保护装置
Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand 查看数据来源
保存温度
2-8°C expand 查看数据来源
纯度
≥98.0% (HPLC) expand 查看数据来源
97% expand 查看数据来源
成盐信息
Free Base expand 查看数据来源
质检报告
下载链接 expand 查看数据来源
Pharmacopeia Traceability
traceable to USP 1514008 expand 查看数据来源
线性分子式
CH3CONHC6H4OC2H5 expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank Selleck Chemicals Selleck Chemicals Sigma Aldrich Sigma Aldrich TRC TRC
DrugBank -  DB03783 external link
Item Information
Drug Groups experimental; withdrawn
Description Phenacetin was withdrawn from the Canadian market in June 1973 due to concerns regarding nephropathy (damage to or disease of the kidney).
Indication Used principally as an analgesic.
Pharmacology Phenacetin was the first NSAID and fever reducer to go on the market. Its analgesic effects are due to its actions on the sensory tracts of the spinal cord. In addition, phenacetin has a depressant action of the heart, where it acts as a negative inotrope. It is an antipyretic, acting on the brain to decrease the temperature set point. It is also used to treat rheumatoid arthritis (subacute type), intercostal neuralgia, and some forms of ataxia. [Wikipedia]
Affected Organisms
Humans and other mammals
References
Dubach UC, Rosner B, Sturmer T: An epidemiologic study of abuse of analgesic drugs. Effects of phenacetin and salicylate on mortality and cardiovascular morbidity (1968 to 1987) N Engl J Med. 1991 Jan 17;324(3):155-60. [Pubmed]
Cochran AJ, Lawson DH, Linton AL: Renal papillary necrosis following phenacetin excess. Scott Med J. 1967 Jul;12(7):246-50. [Pubmed]
TAN GH, RABBINO MD, HOPPER J Jr: IS PHENACETIN A NEPHROTOXIN?A REPORT ON TWENTY-THREE USERS OF THE DRUG. Calif Med. 1964 Aug;101:73-7. [Pubmed]
Brix AE: Renal papillary necrosis. Toxicol Pathol. 2002 Nov-Dec;30(6):672-4. [Pubmed]
External Links
Wikipedia
DrugBank -  DB08243 external link
Drug information: experimental
Selleck Chemicals -  S2577 external link
Research Area: Inflammation
Biological Activity:
Phenacetin is a non-opioid analgesic without anti-inflammatory properties. Its analgesic effects are due to its actions on the sensory tracts of the spinal cord. In addition, phenacetin has a depressant action on the heart, where it acts as a negative inotrope. Phenacetin is an antipyretic, acting on the brain to decrease the temperature set point. Phenacetin is also used to treat rheumatoid arthritis (subacute type) and intercostal neuralgia. [1][2]References on Phenacetin[1] http://en.wikipedia.org/wiki/Phenacetin, , [2] N Engl J Med. , 1991 Jan 17, 324(3):155-60
Sigma Aldrich -  A2500 external link
Biochem/physiol Actions
CYP1A2 和 CYP2D6 的底物。
Sigma Aldrich -  235830 external link
Biochem/physiol Actions
CYP1A2 和 CYP2D6 的底物。
包装
5, 500 g in glass bottle
Sigma Aldrich -  77440 external link
Biochem/physiol Actions
CYP1A2 和 CYP2D6 的底物。
包装
1 kg in poly bottle
50, 250 g in poly bottle
Sigma Aldrich -  44207 external link
Biochem/physiol Actions
CYP1A2 和 CYP2D6 的底物。
Toronto Research Chemicals -  P294580 external link
Analgesic, antipyretic. Component of APC tablets, analgesic mixture also containing aspirin and caffeine. Phenacetin is reasonably anticipated to be a human carcinogen; analgesic mixtures containing Phenacetin are listed as known human carcinogens.

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • Dubach UC, Rosner B, Sturmer T: An epidemiologic study of abuse of analgesic drugs. Effects of phenacetin and salicylate on mortality and cardiovascular morbidity (1968 to 1987) N Engl J Med. 1991 Jan 17;324(3):155-60. Pubmed
  • Brix AE: Renal papillary necrosis. Toxicol Pathol. 2002 Nov-Dec;30(6):672-4. Pubmed
  • Cochran AJ, Lawson DH, Linton AL: Renal papillary necrosis following phenacetin excess. Scott Med J. 1967 Jul;12(7):246-50. Pubmed
  • TAN GH, RABBINO MD, HOPPER J Jr: IS PHENACETIN A NEPHROTOXIN?A REPORT ON TWENTY-THREE USERS OF THE DRUG. Calif Med. 1964 Aug;101:73-7. Pubmed
  • Boyd, et al.: Toxicol. Appl. Pharmacol., 1, 240 (1959)
  • Dubach, C.U., et al.: N. Engl. J. Med., 308, 357 (1959)
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专利

专利

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