uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08198483B2
查看(5R)-3-(6-(2-((2,6-dichlorophenyl)methoxy)ethoxy)hexyl)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-1,3-oxazolidin-2-one
(5R)-3-[6-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]hexyl]-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-1,3-oxazolidin-2-one
IDENTITY
结构与身份
- 标准SMILES
- CC1(C)OCc2cc([C@@H]3CN(CCCCCCOCCOCc4c(Cl)cccc4Cl)C(=O)O3)ccc2O1
- InChIKey
- XQWNKZGGCAFXHI-SANMLTNESA-N
- 分子式
- C28H35Cl2NO6
- 平均分子量
- 552.5 g/mol
- 单同位素质量
- 551.1841432
COMPUTED
结构计算性质
- XLogP
- 5.4
- 极性表面积
- 66.5 Ų
- 氢键供体
- 0
- 氢键受体
- 6
- 可旋转键
- 13
- 重原子
- 37
- 形式电荷
- 0
- 复杂度
- 702
GHS
GHS分类
GHS Classification
Danger
H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity];H370 (100%): Causes damage to organs [Danger Specific target organ toxicity, single exposure];H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure];H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P203, P260, P264, P270, P273, P280, P308+P316, P318, P319, P321, P391, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
HAZARDS
危害信息
Hazard Classes and Categories
Repr. 2 (100%);STOT SE 1 (100%);STOT RE 2 (100%);Aquatic Chronic 2 (100%)
ALIASES
名称与别名
REACTIONS
参与反应
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