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洛硫嗪
- 基本信息
- 物化性质
- 毒理性
- 结构与计算化学
- 上游产品
洛硫嗪 基本信息
- 中文名称:
- 洛硫嗪
- 中文别名:
- 洛硫嗪
- 英文名称:
- Methanone,[4-[(4-fluorophenyl)sulfonyl]-1-piperazinyl][4-[[7-(trifluoromethyl)-4-quinolinyl]amino]phenyl]-
- 英文别名:
- [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone;
Losulazina;
Losulazine;
Losulazinum
- CAS No.:
- 72141-57-2
- 分 子 式:
- C27H22F4N4O3S
- 分 子 量:
- 0
- 精确分子量:
- 558.13500
- PSA:
- 90.99000
- InChI:
- The Key: SYJKIRZBDWNJSB-UHFFFAOYSA-N
- 分子结构式:
-
- SDS:
- 查看
洛硫嗪 物化性质
- 密度:
- 1.454g/cm3
- 沸点:
- 695.7ºC at 760 mmHg
- 闪点:
- 374.5ºC
- 折射率:
- 1.638
洛硫嗪 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- TM0829800
- CHEMICAL NAME :
- Piperazine,
1-((4-fluorophenyl)sulfonyl)-4-(4-((7-(trifluoromethy
l)-4-quinolinyl)amino) benzoyl)-
- CAS REGISTRY NUMBER :
- 72141-57-2
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C27-H22-F4-N4-O3-S
- MOLECULAR WEIGHT :
- 558.59
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >3160 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: 29,133,1986
** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 168 mg/kg
- SEX/DURATION :
- lactating female 21 day(s) post-birth
- TOXIC EFFECTS :
- Reproductive - Effects on Newborn - weaning or lactation index (e.g., #
alive at weaning per # alive at day 4)
Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight
gain)
Reproductive - Effects on Newborn - physical
- REFERENCE :
- TJADAB Teratology, The International Journal of Abnormal Development. (Alan
R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1968-
Volume(issue)/page/year: 33,36C,1986
洛硫嗪 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):4.8
2.氢键供体数量:1
3.氢键受体数量:10
4.可旋转化学键数量:5
5.互变异构体数量:5
6.拓扑分子极性表面积:91
7.重原子数量:39
8.表面电荷:0
9.复杂度:938
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