您当前所在的位置:首页 > 产品中心 > 产品详细信息
107233-08-9 分子结构
点击图片或这里关闭

(2R,5'R)-5'-methyl-4-azaspiro[bicyclo[2.2.2]octane-2,2'-[1,4]oxathiolane]

ChemBase编号:70
分子式:C10H17NOS
平均质量:199.31308
单一同位素质量:199.10308517
SMILES和InChIs

SMILES:
S1C[C@@]2(O[C@H]1C)C1CCN(C2)CC1
Canonical SMILES:
C[C@H]1SC[C@]2(O1)CN1CCC2CC1
InChI:
InChI=1S/C10H17NOS/c1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11/h8-9H,2-7H2,1H3/t8-,10-/m1/s1
InChIKey:
WUTYZMFRCNBCHQ-PSASIEDQSA-N

引用这个纪录

CBID:70 http://www.chembase.cn/molecule-70.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
(2R,5'R)-5'-methyl-4-azaspiro[bicyclo[2.2.2]octane-2,2'-[1,4]oxathiolane]
IUPAC传统名
cevimeline
商标名
Evoxac
Saligren
别名
Cevimeline hydrochloride
Cevimeline hydrochloride hemihydrate
Cevimeline hydrochloride hydrate
Cevimeline
CAS号
107233-08-9
PubChem SID
160963533
PubChem CID
83898

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
DrugBank DB00185 external link
PubChem 83898 external link
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
质子受体 质子供体
LogD (pH = 5.5) -1.954783  LogD (pH = 7.4) -0.22276455 
Log P 0.9964063  摩尔折射率 55.9221 cm3
极化性 22.251616 Å3 极化表面积 12.47 Å2
可自由旋转的化学键 里宾斯基五规则 true 
Log P 1.46  LOG S -1.92 
溶解度 2.41e+00 g/l 

分子性质

分子性质

理化性质 生物活性(PubChem)
溶解度
Very soluble expand 查看数据来源
疏水性(logP)
1.3 expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank
DrugBank -  DB00185 external link
Item Information
Drug Groups approved
Description Cevimeline is a parasympathomimetic and muscarinic agonist, with particular effect on M3 receptors. It is indicated by the Food and Drug Administration for the treatment of dry mouth associated with Sj?gren's syndrome. [Wikipedia]
Indication For the treatment of symptoms of dry mouth in patients with Sjögren's Syndrome.
Pharmacology Cevimeline is a cholinergic agonist which binds to muscarinic receptors. Muscarinic agonists in sufficient dosage can increase secretion of exocrine glands, such as salivary and sweat glands and increase tone of the smooth muscle in the gastrointestinal and urinary tracts.
Affected Organisms
Humans and other mammals
Biotransformation Primarily hepatic, isozymes CYP2D6 and CYP3A4 are responsible for the metabolism of cevimeline. Approximately 44.5% of the drug is converted to cis and trans-sulfoxide, 22.3% to glucuronic acid conjugate, and 4% to N-oxide of cevimeline. Approximately 8% of the trans-sulfoxide metabolite is then converted into the corresponding glucuronic acid conjugate.
Absorption Rapidly absorbed with peak concentration after 1.5 to 2 hours
Half Life 5 ± 1 hours
Protein Binding < 20%
Elimination After 24 hours, 84% of a 30 mg dose of cevimeline was excreted in urine.
Distribution * 6 L/kg
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
    暂无数据
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