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968-81-0 分子结构
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1-(4-acetylbenzenesulfonyl)-3-cyclohexylurea

ChemBase编号:297
分子式:C15H20N2O4S
平均质量:324.3953
单一同位素质量:324.11437813
SMILES和InChIs

SMILES:
S(=O)(=O)(NC(=O)NC1CCCCC1)c1ccc(cc1)C(=O)C
Canonical SMILES:
O=C(NS(=O)(=O)c1ccc(cc1)C(=O)C)NC1CCCCC1
InChI:
InChI=1S/C15H20N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,16,17,19)
InChIKey:
VGZSUPCWNCWDAN-UHFFFAOYSA-N

引用这个纪录

CBID:297 http://www.chembase.cn/molecule-297.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
1-(4-acetylbenzenesulfonyl)-3-cyclohexylurea
3-(4-acetylbenzenesulfonyl)-1-cyclohexylurea
IUPAC传统名
1-(4-acetylbenzenesulfonyl)-3-cyclohexylurea
3-(4-acetylbenzenesulfonyl)-1-cyclohexylurea
acetohexamide
商标名
Cyclamide
Dimelin
Dimelor
Dymelor
Gamadiabet
Hypoglicil
Metaglucina
Minoral
Ordimel
Tsiklamid
别名
4-乙酰基-N-[(环己胺基)羰基]苯磺酰胺
醋磺环己脲
Acetohexamid
Acetohexamide
4-Acetyl-N-[(cyclohexylamino)-carbonyl]benzenesulfonamide
4-Acetyl-N-[(cyclohexylamino)carbonyl]benzenesulfonamide
Acetohexamide
Dimelin
Dimelor
Dymelor
Gamadiabet
Hypoglicil
Metaglucina
Minoral
Ordimel
Tsiklamid
U 14812
1-(p-Acetylbenzenesulfonyl)-3-cyclohexylurea
1-[(p-Acetylphenyl)sulfonyl]-3-cyclohexylurea
N-(p-Acetylphenylsulfonyl)-N'-cyclohexylurea
CAS号
968-81-0
EC号
213-530-4
MDL号
MFCD00072156
PubChem SID
160963760
46505821
24278077
PubChem CID
1989

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 ALOGPS 2.1
Acid pKa 4.313318  质子受体
质子供体 LogD (pH = 5.5) 1.040655 
LogD (pH = 7.4) 0.8747415  Log P 1.8149334 
摩尔折射率 82.7722 cm3 极化性 32.758297 Å3
极化表面积 92.34 Å2 可自由旋转的化学键
里宾斯基五规则 true 
Log P 1.72  LOG S -3.83 
溶解度 4.83e-02 g/l 

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
3430 mg/L expand 查看数据来源
DMSO: ~45 mg/mL expand 查看数据来源
H2O: insoluble expand 查看数据来源
外观
white solid expand 查看数据来源
疏水性(logP)
2.7 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
YR7350000 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
下载链接 expand 查看数据来源
德国WGK号
2 expand 查看数据来源
个人保护装置
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand 查看数据来源
相关基因信息
human ... KCNJ1(3758) expand 查看数据来源
级别
analytical standard, for drug analysis 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
Empirical Formula (Hill Notation)
C15H20N2O4S expand 查看数据来源

详细说明

详细说明

MP Biomedicals MP Biomedicals DrugBank DrugBank Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals -  02193572 external link
Hypoglycemic agent
DrugBank -  DB00414 external link
Item Information
Drug Groups approved
Description A sulfonylurea hypoglycemic agent that is metabolized in the liver to 1-hydrohexamide. [PubChem]
Indication Used in the management of diabetes mellitus type 2 (adult-onset).
Pharmacology Acetohexamide is an intermediate-acting, first-generation oral sulfonylurea. It lowers blood sugar by stimulating the pancreatic beta cells to secrete insulin and by helping the body use insulin efficiently. The pancreas must produce insulin for this medication to work. Acetohexamide has one-third the potency of chlorpropamide, and twice the potency of tolbutamide; however, similar hypoglycemic efficacy occurs with equipotent dosage of sulfonylureas.
Toxicity Oral, rat LD50: 5 gm/kg; Oral, mouse LD50: >2500 mg/kg. Symptoms of an acetohexamide overdose include hunger, nausea, anxiety, cold sweats, weakness, drowsiness, unconsciousness, and coma.
Affected Organisms
Humans and other mammals
Biotransformation Extensively metabolized in the liver to the active metabolite hydroxyhexamide, which exhibits greater hypoglycemic potency than acetohexamide. Hydroxyhexamide is believed to be responsible for prolonged hypoglycemic effects.
Absorption Rapidly absorbed from the GI tract.
Half Life Elimination half-life of the parent compound is 1.3 hours and the elimination half-life of the active metabolite is approximately 5-6 hours.
Protein Binding 90%
External Links
Wikipedia
Drugs.com
Sigma Aldrich -  A178 external link
Biochem/physiol Actions
口服降血糖药
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. A178.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.
Toronto Research Chemicals -  A162650 external link
Acetohexamide is a sulfonylurea derivative. Acetohexamide is a hyopglycemic agent with moderate uricosuric activity. Acetohexamide is a first generation medication used in the treatment of diabetes metilus type 2.

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • Yu, T-F. et al.: Metab. Clin. Exp., 17, 309 (1968)
  • Harrower, A.D.B. et al.: Clin. Pharmacokin., 31, 111 (1968)
  • Hirota, Y. et al.: Diab. Med., 26, 948 (1968)
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专利

专利

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