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1327-53-3 分子结构
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bicyclo[1.1.1]diarsoxane

ChemBase编号:1040
分子式:As2O3
平均质量:197.8414
单一同位素质量:197.82793586
SMILES和InChIs

SMILES:
[As]12O[As](O1)O2
Canonical SMILES:
O1[As]2O[As]1O2
InChI:
InChI=1S/As2O3/c3-1-4-2(3)5-1
InChIKey:
GOLCXWYRSKYTSP-UHFFFAOYSA-N

引用这个纪录

CBID:1040 http://www.chembase.cn/molecule-1040.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
bicyclo[1.1.1]diarsoxane
IUPAC传统名
arsenic trioxide
商标名
Arsenite
Arsenolite
Arsodent
Claudelite
Claudetite
Trisenox
别名
Arsenic Trioxide [UN1561] [Poison]
Arsenic, White
Arsenic Sesquioxide
Arsenic Oxidearsenous Trioxide
Arsenic Oxide
Arsenic Blanc [French]
Arseni Trioxydum
Anhydride Arsenieux [French]
Acide Arsenieux [French]
Arsenigen Saure [German]
Arsenious Acid
Arsenious Acid Anhydride
Arsenious Oxide
Arsenious Trioxide
Arsenous Acid
Arsenous Acid Anhydride
Arsenous Anhydride
Arsenous Oxide
Arsenous Oxide Anhydride
Arsentrioxide
Di-Arsenic Trioxide
Diarsenic Trioxide
Diarsonic Trioxide
Oxyde Arsenieux [ISO-French]
Poison Flour
White Arsenic
HSDB 419
Crude Arsenic
Arsenicum Album
arsenic trioxide
Arsenic trioxide
Arsenic(III) oxide
Arseneous oxide
Arseneous anhydride
ARSENIC (III) OXIDE
ARSENIC (III) OXIDE ACS REAGENT GRADE
CAS号
1327-53-3
EC号
215-481-4
PubChem SID
160964503
46506448
PubChem CID
261004
518740
ATC码
L01XX27
CHEMBL
1200978
Chemspider ID
452539
DrugBank ID
DB01169
KEGG ID
C13619
美国药典/FDA物质标识码
S7V92P67HO
维基百科标题
Arsenic_trioxide

数据来源

数据来源

所有数据来源 商品来源 非商品来源

理论计算性质

理论计算性质

JChem
质子受体 质子供体
LogD (pH = 5.5) 2.3136  LogD (pH = 7.4) 2.3136 
Log P 2.3136  摩尔折射率 4.0506 cm3
极化性 10.20073 Å3 极化表面积 27.69 Å2
可自由旋转的化学键 里宾斯基五规则 true 

分子性质

分子性质

理化性质 安全信息 药理学性质 产品相关信息 生物活性(PubChem)
溶解度
17 mg/mL at 16 oC [SHIU,WY et al. (1990)] expand 查看数据来源
20 g/L (25 °C)
see text in water
expand 查看数据来源
soluble in dilute acids and alkalies, practically insoluble in organic solvents expand 查看数据来源
外观
White solid expand 查看数据来源
熔点
312.2°C expand 查看数据来源
sublimation at 193 °C expand 查看数据来源
沸点
465°C expand 查看数据来源
not applicable (sublimes) 3.86 g/cm3 at 20 °C expand 查看数据来源
密度
3.74 g/cm3 expand 查看数据来源
8.5E-10 hPa at 20 °C expand 查看数据来源
蒸汽压
66.1 mm Hg at 312 °C expand 查看数据来源
pKa
9.2 expand 查看数据来源
标准摩尔生成焓 (ΔfHo298)
-657.4 kJ/mol expand 查看数据来源
标准摩尔熵 (So298)
? J.K-1.mol-1 expand 查看数据来源
保存条件
Room Temperature (15-30°C) expand 查看数据来源
RTECS编号
CG3325000 expand 查看数据来源
欧盟危险性物质标志
Carc. Cat. 1 expand 查看数据来源
Dangerous for the expand 查看数据来源
environment (N) expand 查看数据来源
环境危害性(Nature polluting) 环境危害性(Nature polluting) (N) expand 查看数据来源
剧毒(Highly toxic) 剧毒(Highly toxic) (T+) expand 查看数据来源
Very toxic (T+) expand 查看数据来源
联合国危险货物编号
1561 expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
联合国危险货物等级
6.1 expand 查看数据来源
联合国危险货物包装类别(PG)
II expand 查看数据来源
澳大利亚Hazchem
2Z expand 查看数据来源
危险公开号
R:28-34-45-50/53 expand 查看数据来源
R:28-34-50/53 expand 查看数据来源
R45, R28, R34,
R50/53
expand 查看数据来源
安全公开号
S:45-53-60-61 expand 查看数据来源
S53, S45, S60,
S61
expand 查看数据来源
欧盟危险货物分类
T2 expand 查看数据来源
欧盟危险识别号(EUHIN)
6.1B expand 查看数据来源
美国ERG指导号
151 expand 查看数据来源
NFPA704
NFPA 704 diagram
0
3
0
expand 查看数据来源
半数致死量
14.6 mg/kg (rat, oral) expand 查看数据来源
蛋白结合率
75% bound expand 查看数据来源
纯度
≥99.9% expand 查看数据来源
级别
ACS expand 查看数据来源
REAGENT expand 查看数据来源
质检报告
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源

详细说明

详细说明

MP Biomedicals MP Biomedicals DrugBank DrugBank Wikipedia Wikipedia
MP Biomedicals -  02193867 external link
(Arsenous acid)
MP Biomedicals -  02193868 external link
ACS Reagent Grade
Purity: >99.9%
DrugBank -  DB01169 external link
Item Information
Drug Groups approved; investigational
Description Arsenic trioxide is a chemotheraputic agent of idiopathic function used to treat leukemia that is unresponsive to first line agents. It is suspected that arsenic trisulfide induces cancer cells to undergo apoptosis. Due to the toxic nature of arsenic, this drug carries significant health risks. The enzyme thioredoxin reductase has recently been identified as a target for arsenic trioxide.
Indication For induction of remission and consolidation in patients with acute promyelocytic leukemia (APL), and whose APL is characterized by the presence of the t(15;17) translocation or PML/RAR-alpha gene expression
Pharmacology Arsenic Trioxide is indicated for induction of remission and consolidation in patients with acute promyelocytic leukemia (APL) who are refractory to, or have relapsed from, retinoid and anthracycline chemotherapy.
Toxicity Symptoms of overdose include convulsions, muscle weakness and confusion.
Affected Organisms
Humans and other mammals
Biotransformation The metabolism of arsenic trioxide involves reduction of pentavalent arsenic to trivalent arsenic by arsenate reductase and methylation of trivalent arsenic to monomethylarsonic acid and monomethylarsonic acid to dimethylarsinic acid by methyltransferases. The main site of methylation reactions appears to be the liver. Arsenic is stored mainly in liver, kidney, heart, lung, hair and nails.
Protein Binding 75% bound
Elimination Trivalent arsenic is mostly methylated in humans and excreted in urine.
References
Lu J, Chew EH, Holmgren A: Targeting thioredoxin reductase is a basis for cancer therapy by arsenic trioxide. Proc Natl Acad Sci U S A. 2007 Jul 24;104(30):12288-93. Epub 2007 Jul 18. [Pubmed]
External Links
Wikipedia
RxList
Drugs.com

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • Lu J, Chew EH, Holmgren A: Targeting thioredoxin reductase is a basis for cancer therapy by arsenic trioxide. Proc Natl Acad Sci U S A. 2007 Jul 24;104(30):12288-93. Epub 2007 Jul 18. Pubmed
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专利

专利

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