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155-97-5 分子结构
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3-[(dimethylcarbamoyl)oxy]-1-methylpyridin-1-ium

ChemBase编号:427
分子式:C9H13N2O2+
平均质量:181.21172
单一同位素质量:181.09770267
SMILES和InChIs

SMILES:
O(c1c[n+](ccc1)C)C(=O)N(C)C
Canonical SMILES:
C[n+]1cccc(c1)OC(=O)N(C)C
InChI:
InChI=1S/C9H13N2O2/c1-10(2)9(12)13-8-5-4-6-11(3)7-8/h4-7H,1-3H3/q+1
InChIKey:
RVOLLAQWKVFTGE-UHFFFAOYSA-N

引用这个纪录

CBID:427 http://www.chembase.cn/molecule-427.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
3-[(dimethylcarbamoyl)oxy]-1-methylpyridin-1-ium
IUPAC传统名
pyridostigmine
商标名
Mestinon
Regonol
Mestinon-SR
别名
Pyridostigmine Bromide
Pyridostigmine Bromine
Pyridostigminum
Pyridine N-Oxide
Pyridostigmine
CAS号
155-97-5
PubChem SID
46506129
160963890
PubChem CID
4991
ATC码
N07AA02
CHEMBL
1115
Chemspider ID
4817
DrugBank ID
DB00545
KEGG ID
D00487
美国药典/FDA物质标识码
19QM69HH21
维基百科标题
Pyridostigmine
Medline Plus
a682229

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

理论计算性质

理论计算性质

JChem ALOGPS 2.1
Acid pKa 19.526827  质子受体
质子供体 LogD (pH = 5.5) -3.4667275 
LogD (pH = 7.4) -3.4667275  Log P -3.4667275 
摩尔折射率 49.659 cm3 极化性 18.862652 Å3
极化表面积 33.42 Å2 可自由旋转的化学键
里宾斯基五规则 true 
Log P -3.13  LOG S -2.32 
溶解度 1.04e+00 g/l 

分子性质

分子性质

理化性质 药理学性质 生物活性(PubChem)
溶解度
1.04 mg/mL [Predicted by ALOGPS] expand 查看数据来源
疏水性(logP)
1.554 expand 查看数据来源
给药途径
Oral, intravenous expand 查看数据来源
生物利用度
7.6 +/- 2.4% expand 查看数据来源
排泄
Renal expand 查看数据来源
半衰期
1.78 +/- 0.24hrs expand 查看数据来源
法定药品分级
POM (UK) expand 查看数据来源
Rx-only (US) expand 查看数据来源
妊娠期药物分类
C (Australia) expand 查看数据来源
C (US) expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank Wikipedia Wikipedia
DrugBank -  DB00545 external link
Item Information
Drug Groups approved
Description A cholinesterase inhibitor with a slightly longer duration of action than neostigmine. It is used in the treatment of myasthenia gravis and to reverse the actions of muscle relaxants. [PubChem]
Indication For the treatment of myasthenia gravis.
Pharmacology Pyridostigmine is a parasympathomimetic and a reversible cholinesterase inhibitor. Since it is a quaternary amine, it is poorly absorbed in the gut and doesn't cross the blood-brain barrier. Pyridostigmine has a slightly longer duration of action than NEOSTIGMINE. It is used in the treatment of myasthenia gravis and to reverse the actions of muscle relaxants.
Affected Organisms
Humans and other mammals
Biotransformation Hydrolysis by cholinesterases and by liver.
Absorption Poorly absorbed from the GI tract with an oral bioavailability of 7.6 +/- 2.4%.
Half Life 3 hours following oral administration.
References
Singer W, Opfer-Gehrking TL, McPhee BR, Hilz MJ, Bharucha AE, Low PA: Acetylcholinesterase inhibition: a novel approach in the treatment of neurogenic orthostatic hypotension. J Neurol Neurosurg Psychiatry. 2003 Sep;74(9):1294-8. [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
  • Singer W, Opfer-Gehrking TL, McPhee BR, Hilz MJ, Bharucha AE, Low PA: Acetylcholinesterase inhibition: a novel approach in the treatment of neurogenic orthostatic hypotension. J Neurol Neurosurg Psychiatry. 2003 Sep;74(9):1294-8. Pubmed
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专利

专利

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