1-Piperazineaceticacid, 4-methyl-, 2-[(5-nitro-2-furanyl)methylene]hydrazide
- 中文别名：硝呋哌酮
- 中文释义：硝呋哌酮;呋喃哌嗪酰胺 呋喃哌嗪乙酰腙
- 英文别名：2-(4-methylpiperazin-1-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide;
Nifurpipone;
UNII-G7274CK635;
5-Nitro-2-furaldehyde 4-methylpiperazinoacethydrazone;
5-Nitro-2-furaldehyde N'-methylpiperazinoacethydrazone;
Nifurpiponum [INN-Latin];
Nifurpipone [INN];
5-Nitro-furfural-<(4-methyl-piperazino)-acetylhydrazon>;
(4-methyl-piperazin-1-yl)-acetic acid (5-nitro-furan-2-ylmethylene)-hydrazide;
Nifurpipona [INN-Spanish];
Rec 15 0122
- CAS No.：24632-47-1
- 分子式：
C12H17N5O4
- 分子量：295.34
- 精确分子量：295.12800
- PSA：106.90000
- InChI：The Key: FHHFNHFFCVLLHX-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 密度：
- 1.41g/cm3
- 折射率：
- 1.635
安全信息
- 密度：
- 1.41g/cm3
- 折射率：
- 1.635
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- TK7906700
- CHEMICAL NAME :
- 1-Piperazineacetic acid, 4-methyl-, (5-nitrofurfurylidene)hydrazide
- CAS REGISTRY NUMBER :
- 24632-47-1
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C12-H17-N5-O4
- MOLECULAR WEIGHT :
- 295.34
- WISWESSER LINE NOTATION :
- T6N DNTJ A1 D1VMNU1- BT5OJ ENW
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 :
- 990 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - other changes
- REFERENCE :
- BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 114,73,1975
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 212 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 114,73,1975
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 880 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - other changes
- REFERENCE :
- BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 114,73,1975
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 315 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 14,633,1971
海关数据
中国海关编码：2934999090
- 概述：
- 2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
- 申报要素：
- 品名, 成分含量, 用途
- 摘要/Summary：
- 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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:7
4.可旋转化学键数量:4
5.互变异构体数量:2
6.拓扑分子极性表面积:107
7.重原子数量:21
8.表面电荷:0
9.复杂度:403
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
