匹立昔尔
- 中文名称：
- 匹立昔尔
- 中文别名：
- 匹立昔尔
- 英文名称：
- Acetamide,2-[[4-chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl]thio]-N-(2-hydroxyethyl)-
- 英文别名：
- 2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanyl-N-(2-hydroxyethyl)acetamide;
2-[4-chloro-6-(2,3-dimethyl-anilino)-pyrimidin-2-ylsulfanyl]-N-(2-hydroxy-ethyl)-acetamide;
Pirinixil;
BR-931;
<<4-chloro-6-<(2,3-dimethylphenyl)amino>-2-pyrimidinyl>thio>-N-(2-hydroxyethyl)acetamide;
2-((4-Chloro-6-((2,3-dimethylphenyl)amino)-2-pyrimidinyl)thio)-N-(2-hydroxyethyl)acetamide;
Pirinixilo [Spanish];
Pirinixilum [INN-Latin];
Pirinixilo [INN-Spanish]
- CAS No.：
- 65089-17-0
- 分 子 式：
-
C16H19ClN4O2S
- 分 子 量：
- 366.90
- 精确分子量：
- 366.09200
- PSA：
- 112.44000
- InChI：
- The Key: RZCKTPORLKUFGY-UHFFFAOYSA-N3
- 安全术语：
- Suspected carcinogen with experimental carcinogenic data. Mutation data reported. When heated to decomposition it emits very toxic fumes of Cl−, NOx, and SOx.
- 分子结构式：
-
- SDS：
- 查看
匹立昔尔 物化性质
- 密度：
- 1.37g/cm3
- 沸点：
- 609.6ºC at 760 mmHg
- 闪点：
- 322.5ºC
- 折射率：
- 1.642
匹立昔尔 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- AB5860000
- CHEMICAL NAME :
- Acetamide,
2-((4-chloro-6-(2,3-xylidino)-2-pyrimidinyl)thio)-N-(
2-hydroxyethyl)-
- CAS REGISTRY NUMBER :
- 65089-17-0
- BEILSTEIN REFERENCE NO. :
- 0845588
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 7
- MOLECULAR FORMULA :
- C16-H19-Cl-N4-O2-S
- MOLECULAR WEIGHT :
- 366.90
- WISWESSER LINE NOTATION :
- T6M CN BHJ BS1VM2Q DG FMR B1 C1
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 :
- >5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1575 mg/kg/21D-C
- TOXIC EFFECTS :
- Liver - other changes
Biochemical - Enzyme inhibition, induction, or change in blood or tissue
levels - catalases
Biochemical - Enzyme inhibition, induction, or change in blood or tissue
levels - other transferases
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 17 gm/kg/81W-C
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria
Liver - tumors
Biochemical - Enzyme inhibition, induction, or change in blood or tissue
levels - other transferases
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 137 gm/kg/81W-C
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria
Liver - tumors
MUTATION DATA
- TYPE OF TEST :
- DNA inhibition
- TEST SYSTEM :
- Rodent - mouse Cells - not otherwise specified
- DOSE/DURATION :
- 25 umol/L
- REFERENCE :
- CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year:
40,36,1980
匹立昔尔 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）:3.3
2.氢键供体数量:3
3.氢键受体数量:6
4.可旋转化学键数量:7
5.互变异构体数量:6
6.拓扑分子极性表面积:112
7.重原子数量:24
8.表面电荷:0
9.复杂度:404
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
