555-84-0

• 常用中文名：硝呋拉定
• 常用英文名：2-Imidazolidinone,1-[[(5-nitro-2-furanyl)methylene]amino]-
• CAS号：555-84-0
• 分子式：C₈H₈N₄O₄
• 分子量：224.17400
• 发布时间：2018-08-27 00:15:50
• 更新时间：2024-01-09 21:22:26

名称

• 中文名: 硝呋拉定
• 英文名: 1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidin-2-one
• 英文别名: Nifuraden; Renafur; 1-(5-nitro-furfurylidenamino)-imidazolidin-2-one; Oxyfuradene; 1-(5-Nitro-furfurylidenamino)-imidazolidin-2-on; Oxafurandene; NIFURADENE; Oxafuradene; 1-(5-nitro-furan-2-ylmethyleneamino)-imidazolidin-2-one; Nifuradine; 1-<(5-Nitrofurfuryliden)amino>-2-imidazolidinon; Oxifuradene; NF 246

物化性质

• 密度: 1.67g/cm3
• 分子式: C₈H₈N₄O₄
• 分子量: 224.17400
• 精确质量: 224.05500
• PSA: 103.66000
• LogP: 1.33680
• 折射率: 1.71
• 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:5

  4.可旋转化学键数量:2

  5.互变异构体数量:2

  6.拓扑分子极性表面积:104

  7.重原子数量:16

  8.表面电荷:0

  9.复杂度:327

  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:1

  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 : NJ0875000 CHEMICAL NAME : 2-Imidazolidinone, 1-((5-nitrofurfurylidene)amino)- CAS REGISTRY NUMBER : 555-84-0 BEILSTEIN REFERENCE NO. : 0384793 LAST UPDATED : 199612 DATA ITEMS CITED : 9 MOLECULAR FORMULA : C8-H8-N4-O4 MOLECULAR WEIGHT : 224.20 WISWESSER LINE NOTATION : T5OJ BNW E1UN- CT5MVNTJ 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 : 1681 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 - mouse DOSE/DURATION : 1 gm/kg TOXIC EFFECTS : Behavioral - antipsychotic Lungs, Thorax, or Respiration - respiratory depression Kidney, Ureter, Bladder - other changes in urine composition REFERENCE : JPPMAB Journal of Pharmacy and Pharmacology. (Pharmaceutical Soc. of Great Britain, 1 Lambeth High St., London SEI 7JN, UK) V.1- 1949- Volume(issue)/page/year: 16,663,1964 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 538 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 ** TUMORIGENIC DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 34 gm/kg/46W-C TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Blood - lymphoma, including Hodgkin's disease Skin and Appendages - tumors REFERENCE : JNCIAM Journal of the National Cancer Institute. (Washington, DC) V.1-60, 1940-78. For publisher information, see JJIND8. Volume(issue)/page/year: 51,403,1973 *** REVIEWS *** IARC Cancer Review:Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 7,181,1974 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 7,181,1974 IARC Cancer Review:Group 2B IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,56,1987 TOXICOLOGY REVIEW CCSUDL Carcinogenesis--A Comprehensive Survey. (Raven Press, 1185 Ave. of the Americas, New York, NY 10036) V.1- 1976- Volume(issue)/page/year: 4,171,1978

合成路线

41401-76-7 698-63-5 ~% 555-84-0

文献：Michels; Gever Journal of the American Chemical Society, 1956 , vol. 78, p. 5349

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