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四氧普林
- 基本信息
- 物化性质
- 安全信息
- 毒理性
- 海关数据
- 结构与计算化学
四氧普林 基本信息
- 中文名称：
- 四氧普林
- 中文别名：
- 四氧普林;
5-(3,5-二甲氧基-4-(2-甲氧基乙氧基)苄基)嘧啶-2,4-二胺
- 英文名称：
- 2,4-Pyrimidinediamine,5-[[3,5-dimethoxy-4-(2-methoxyethoxy)phenyl]methyl]-
- 英文别名：
- 5-[[3,5-dimethoxy-4-(2-methoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine;
Tetroxoprima;
Tetroxoprime [INN-French];
Tetroxoprimum [INN-Latin];
Tetroxoprime;
Tetroxoprim;
Tetroxoprimum;
He 781;
Tetroxoprima [INN-Spanish];
Tetroxoprima [Spanish]
- CAS No.：
- 53808-87-0
- 分 子 式：
- C16H22N4O4
- 分 子 量：
- 0
- 精确分子量：
- 334.16400
- PSA：
- 114.74000
- EINECS：
- 258-789-4
- InChI：
- The Key: WSWJIZXMAUYHOE-UHFFFAOYSA-N
- 分子结构式：
-
- SDS：
- 查看
四氧普林 物化性质
- 密度：
- 1.232g/cm3
- 沸点：
- 564.1ºC at 760mmHg
- 闪点：
- 294.9ºC
- 折射率：
- 1.587
四氧普林 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- UV8190000
- CHEMICAL NAME :
- Pyrimidine,
2,4-diamino-5-(3,5-dimethoxy-4-(2-methoxyethoxy)benzy
l)-
- CAS REGISTRY NUMBER :
- 53808-87-0
- BEILSTEIN REFERENCE NO. :
- 4271695
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C16-H22-N4-O4
- MOLECULAR WEIGHT :
- 334.42
- WISWESSER LINE NOTATION :
- T6N CNJ BZ DZ E1R CO1 EO1 DO2O1
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 :
- 1172 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
Behavioral - convulsions or effect on seizure threshold
Behavioral - muscle contraction or spasticity
- REFERENCE :
- DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540,
08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year:
4,895,1979
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 300 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
Behavioral - convulsions or effect on seizure threshold
Behavioral - muscle contraction or spasticity
- REFERENCE :
- DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540,
08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year:
4,895,1979
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1060 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JCHEEU Journal of Chemotherapy. (Edizioni Riviste Scientifiche, via R.
Giuliani, 419, 50141 Florence, Italy) V.1- 1989-
Volume(issue)/page/year: 5,400,1993
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1410 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JCHEEU Journal of Chemotherapy. (Edizioni Riviste Scientifiche, via R.
Giuliani, 419, 50141 Florence, Italy) V.1- 1989-
Volume(issue)/page/year: 5,400,1993
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 192 mg/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - ptosis
Behavioral - somnolence (general depressed activity)
Lungs, Thorax, or Respiration - cyanosis
- REFERENCE :
- DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540,
08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year:
4,895,1979
四氧普林 海关数据
中国海关编码：2933599090
- 概述：
- 2933599090. 其他结构上有嘧啶环的化合物(包括其他结构上有哌嗪环的化合物. 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, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
- 摘要/Summary：
- 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
四氧普林 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:2
3.氢键受体数量:8
4.可旋转化学键数量:8
5.互变异构体数量:9
6.拓扑分子极性表面积:115
7.重原子数量:24
8.表面电荷:0
9.复杂度:349
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
