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364-98-7 分子结构
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7-chloro-3-methyl-4H-1$l^{6},2,4-benzothiadiazine-1,1-dione

ChemBase编号:990
分子式:C8H7ClN2O2S
平均质量:230.67138
单一同位素质量:229.99167615
SMILES和InChIs

SMILES:
Clc1cc2S(=O)(=O)N=C(Nc2cc1)C
Canonical SMILES:
Clc1ccc2c(c1)S(=O)(=O)N=C(N2)C
InChI:
InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11)
InChIKey:
GDLBFKVLRPITMI-UHFFFAOYSA-N

引用这个纪录

CBID:990 http://www.chembase.cn/molecule-990.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
7-chloro-3-methyl-4H-1$l^{6},2,4-benzothiadiazine-1,1-dione
7-chloro-3-methyl-4H-1λ6,2,4-benzothiadiazine-1,1-dione
IUPAC传统名
diazoxide
hyperstat
商标名
Dizoxide
Eudemine
Hyperstat
Hypertonalum
Mutabase
Proglicem
Proglycem
别名
Diazoxide
7-Chloro-3-methyl-2H-1,2,4-benzothiadiazine 1,1-Dioxide
3-Methyl-7-chloro-1,2,4-benzothiadiazine 1,1-Dioxide
Dizoxide
Hyperstat
Hypertonalum
Mutabase
NSC 64198
NSC 76130
Proglicem
Proglycem
SRG 95213
Sch 6783
CAS号
364-98-7
PubChem SID
46508027
160964453
PubChem CID
3019

数据来源

数据来源

所有数据来源 商品来源 非商品来源
数据来源 数据ID 价格
TRC
D417305 external link 加入购物车 请登录

理论计算性质

理论计算性质

JChem ALOGPS 2.1
Acid pKa 10.483212  质子受体
质子供体 LogD (pH = 5.5) 1.0004389 
LogD (pH = 7.4) 1.0001315  Log P 1.0004865 
摩尔折射率 54.8408 cm3 极化性 21.23918 Å3
极化表面积 58.53 Å2 可自由旋转的化学键
里宾斯基五规则 true 
Log P 1.09  LOG S -2.62 
溶解度 5.52e-01 g/l 

分子性质

分子性质

理化性质 安全信息 产品相关信息 生物活性(PubChem)
溶解度
2850 mg/L expand 查看数据来源
DMSO expand 查看数据来源
外观
White Solid expand 查看数据来源
熔点
>310°C expand 查看数据来源
疏水性(logP)
1.3 expand 查看数据来源
保存条件
Refrigerator expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源
质检报告
下载链接 expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank TRC TRC
DrugBank -  DB01119 external link
Item Information
Drug Groups approved
Description A benzothiadiazine derivative that is a peripheral vasodilator used for hypertensive emergencies. It lacks diuretic effect, apparently because it lacks a sulfonamide group. [PubChem]
Indication Used parentally to treat hypertensive emergencies. Also used to treat hypoglycemia secondary to insulinoma.
Pharmacology Diazoxide is a potassium channel activator, which causes local relaxation in smooth muscle by increasing membrane permeability to potassium ions. This switches off voltage-gated calcium ion channels which inhibits the generation of an action potential.
Toxicity Oral LD50 in rat and mouse: 980 mg/kg and 444 mg/kg, respectively.
Affected Organisms
Humans and other mammals
Biotransformation Hepatic.
Absorption Readily absorbed following oral administration.
Half Life 28 ±8.3 hours in normal adults.
Protein Binding Very high (more than 90%) to serum proteins.
Elimination Proglycem is extensively bound (more than 90%) to serum proteins, and is excreted in the kidneys.
External Links
Wikipedia
Drugs.com
Toronto Research Chemicals -  D417305 external link
Diazoxide reduces status epilepticus neuron damage in diabetes.

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • Baba, A., et al.: J. Neurosci., 23, 7737 (2003)
  • Bancila, V., et al.: J. Neurochem., 90, 1243 (2003)
  • Bancila, V., et al.: J. Biol. Chem., 280, 8793 (2003)
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专利

专利

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