结构:CC1(C)OCc2cc([C@@H]3CN(CCCCCCOCCOCc4c(Cl)cccc4Cl)C(=O)O3)ccc2O1
HCID46833391

(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

C28H35Cl2NO6552.5 g/molCAS 503068-36-8

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

已同步
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

来源:PubChem
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

来源:PubChem
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

24
503068-36-8(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-oneRefChem:404388832-040-7(R)-3-(6-(2-((2,6-dichlorobenzyl)oxy)ethoxy)hexyl)-5-(2,2-dimethyl-4H-benzo[d][1,3]dioxin-6-yl)oxazolidin-2-one2-Oxazolidinone, 3-[6-[2-[(2,6-dichlorophenyl)Methoxy]ethoxy]hexyl]-5-(2,2-diMethyl-4H-1, 3-benzodioxin-6-yl)-, (5R)-(R)-3-[6-[2-(2,6-Dichlorobenzyloxy)ethoxy]hexyl]-5-(2,2-dimethyl-4H-benzo[1,3]dioxin-6-yl)oxazolidin-2-oneC28H35Cl2NO6SCHEMBL926628SCHEMBL30462196XQWNKZGGCAFXHI-SANMLTNESA-NCS-M2589MFCD21362969AKOS037650422CS-14785F789778(5R)-3-(6-{2-[(2,6-dichlorobenzyl)oxy]ethoxy}hexyl)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-1,3-oxazolidin-2-one(5R)-3-(6-{2-[(2,6-Dichlorobenzyl)oxy]ethoxy}hexyl)-5-(2,2-dimethyl-4H-1,3benzodioxin-6-yl)-1,3-oxazolidin-2-one(5R)-3-(6-{2-[(2.6-Dichlorobenzyl)oxy]ethoxy}hexyl)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-1,3-oxazolidin-2-one

REACTIONS

参与反应

17