2-Imidazolidinone,1-[[(5-nitro-2-furanyl)methylene]amino]-
- 中文别名：硝呋拉定
- 中文释义：硝呋拉定;呋喃咪酮 硝呋拉定
- 英文别名：1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidin-2-one;
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
- CAS No.：555-84-0
- 分子式：
C8H8N4O4
- 分子量：224.05
- 精确分子量：224.05500
- PSA：103.66000
- InChI：The Key: VSVAVMVWTLLTCH-BJMVGYQFSA-N
- 分子结构式：
毒理性
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
分子结构与计算化学数据
计算化学数据
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
