您当前所在的位置:首页 > 产品中心 > 产品详细信息
29868-97-1 分子结构
点击图片或这里关闭

2-[2-(4-methylpiperazin-1-yl)acetyl]-2,4,9-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one

ChemBase编号:552
分子式:C19H21N5O2
平均质量:351.40234
单一同位素质量:351.16952494
SMILES和InChIs

SMILES:
O=C(n1c2c(c(=O)[nH]c3c1nccc3)cccc2)CN1CCN(CC1)C
Canonical SMILES:
CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2
InChI:
InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
InChIKey:
RMHMFHUVIITRHF-UHFFFAOYSA-N

引用这个纪录

CBID:552 http://www.chembase.cn/molecule-552.html

Collapse All Expand All

名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
2-[2-(4-methylpiperazin-1-yl)acetyl]-2,4,9-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
2-[2-(4-methylpiperazin-1-yl)acetyl]-2,4,9-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
IUPAC传统名
pirenzepine
2-[2-(4-methylpiperazin-1-yl)acetyl]-2,4,9-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
商标名
Bisvanil
Gasteril
Gastrozepin
Leblon
Pirenzepin
Pirenzepina [INN-Spanish]
Pirenzepine Gastrozepin
Pirenzepinum [INN-Latin]
Tabe
Ulcosan
别名
Pirenzepine
Pirenzepine
5,11-Dihydro-11-[2-(4-methyl-1-piperazinyl)acetyl]-6H-pyrido[2,3-b][1,4]benzo-diazepin-6-one Dihydrochloride
Duogastral
Durapirenz
Gasteril
Gastrozepin
Leblon
Maghen
Renzepin
Tabe
Ulcuforton
Ulcosan
Pirenzepine, Dihydrochloride
CAS号
29868-97-1
28797-61-7
PubChem SID
46509029
160964015
PubChem CID
4848

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 9.574185  质子受体
质子供体 LogD (pH = 5.5) -1.1168518 
LogD (pH = 7.4) 0.55378336  Log P 0.85245126 
摩尔折射率 100.9257 cm3 极化性 37.71037 Å3
极化表面积 68.78 Å2 可自由旋转的化学键
里宾斯基五规则 true 
Log P 1.26  LOG S -2.71 
溶解度 6.82e-01 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
Water expand 查看数据来源
外观
Solid expand 查看数据来源
熔点
248-250°C expand 查看数据来源
疏水性(logP)
0.6 expand 查看数据来源
保存条件
-20°C Freezer expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源
生物活性机理
Muscarine M 1 receptor antagonist expand 查看数据来源
Parasympatholytic expand 查看数据来源
Spasmolytic expand 查看数据来源
质检报告
下载链接 expand 查看数据来源
应用领域
Antiemetic expand 查看数据来源
Spasmolytic expand 查看数据来源
Used for gastric ulcer treatment expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank TRC TRC
DrugBank -  DB00670 external link
Item Information
Drug Groups approved
Description An antimuscarinic agent that inhibits gastric secretion at lower doses than are required to affect gastrointestinal motility, salivary, central nervous system, cardiovascular, ocular, and urinary function. It promotes the healing of duodenal ulcers and due to its cytoprotective action is beneficial in the prevention of duodenal ulcer recurrence. It also potentiates the effect of other antiulcer agents such as cimetidine and ranitidine. It is generally well tolerated by patients. [PubChem]
Indication For the treatment of peptic ulcer, gastric ulcer, and duodenal ulcer.
Pharmacology Pirenzepine belongs to a group of medications called antispasmodics/anticholinergics. These medications are used to relieve cramps or spasms of the stomach, intestines, and bladder. Pirenzepine is used to treat duodenal or stomach ulcers or intestine problems. It can be used together with antacids or other medicine in the treatment of peptic ulcer. It may also be used to prevent nausea, vomiting, and motion sickness.
Affected Organisms
Humans and other mammals
References
Czepita D: [Fundamentals of modern treatment of myopia] Ann Acad Med Stetin. 2005;51(2):5-9. [Pubmed]
External Links
Wikipedia
Toronto Research Chemicals -  P508500 external link
An antiulcerative. Tricyclic gastric-acid inhibitor.

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • Czepita D: [Fundamentals of modern treatment of myopia] Ann Acad Med Stetin. 2005;51(2):5-9. Pubmed
  • Eberlein, W., et al.: Arzneimittel-Forsch., 27, 356 (1977)
  • Hellerr, G., et al.: Verh. Deut. Ges. Inn. Med., 84, 991 (1977)
  • Carmine, A.A., et al.: Drugs, 30,85 (1977)
  • El-Obeid, H.A., et al.: Anal. Profiles Drug Subs., 16, 445 (1977)
  • Homon, C.A., et al.
  • South African Pat., 1970, 69 05 933; CA, 73, 77292m, (synth, pharmacol)
  • Eberlein, W. et al., Arzneim.-Forsch., 1977, 27, 356; 684, (pharmacol)
  • Ruzic-Toros, Z. et al., Acta Cryst. C, 1983, 39, 93, (cryst struct)
  • Kovac, T. et al., J. Het. Chem., 1983, 20, 1339, (synth)
  • Feng, J. et al., CA, 1984, 101, 110880, (synth)
  • Bechtel, W.D. et al., Arzneim.-Forsch., 1986, 36, 793, (pharmacol)
  • El-Obeid, H.A. et al., Anal. Profiles Drug Subst., 1987, 16, 445, (rev, synth, anal, pharmacol)
  • Negwer, M., Organic-Chemical Drugs and their Synonyms, 6th edn., Akademie-Verlag, 1987, 5258
  • Martindale, The Extra Pharmacopoeia, 30th edn., Pharmaceutical Press, 1993, 430
  • Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, GCE500
正在搜索,请耐心等待...(如果遇到网页错误或者长时间没有结果,请刷新页面[F5])

专利

专利

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

互联网资源

互联网资源

百度图标百度 google iconGoogle