您当前所在的位置:首页 > 产品中心 > 产品详细信息
132875-61-7 分子结构
点击图片或这里关闭

methyl 1-(3-methoxy-3-oxopropyl)-4-(N-phenylpropanamido)piperidine-4-carboxylate

ChemBase编号:775
分子式:C20H28N2O5
平均质量:376.44672
单一同位素质量:376.19982201
SMILES和InChIs

SMILES:
O(C(=O)C1(N(c2ccccc2)C(=O)CC)CCN(CC1)CCC(=O)OC)C
Canonical SMILES:
COC(=O)C1(CCN(CC1)CCC(=O)OC)N(c1ccccc1)C(=O)CC
InChI:
InChI=1S/C20H28N2O5/c1-4-17(23)22(16-8-6-5-7-9-16)20(19(25)27-3)11-14-21(15-12-20)13-10-18(24)26-2/h5-9H,4,10-15H2,1-3H3
InChIKey:
ZTVQQQVZCWLTDF-UHFFFAOYSA-N

引用这个纪录

CBID:775 http://www.chembase.cn/molecule-775.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
methyl 1-(3-methoxy-3-oxopropyl)-4-(N-phenylpropanamido)piperidine-4-carboxylate
IUPAC传统名
remifentanil
商标名
Ultiva
别名
Remifentanyl
Remifentanil
CAS号
132875-61-7
PubChem SID
160964238
46504538
PubChem CID
60815

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 DB00899 external link
PubChem 60815 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) -0.48355016  LogD (pH = 7.4) 1.1568937 
Log P 1.5152788  摩尔折射率 100.5615 cm3
极化性 39.659138 Å3 极化表面积 76.15 Å2
可自由旋转的化学键 里宾斯基五规则 true 
Log P 1.75  LOG S -2.8 
溶解度 5.91e-01 g/l 

分子性质

分子性质

理化性质 生物活性(PubChem)
疏水性(logP)
1.4 expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank
DrugBank -  DB00899 external link
Item Information
Drug Groups approved
Description Remifentanil (marketed by Abbott as Ultiva) is a potent ultra short-acting synthetic opioid analgesic drug. It is given to patients during surgery to relieve pain and as an adjunct to an anaesthetic. Remifentanil is a specific mu-type-opioid receptor agonist. Hence, it causes a reduction in sympathetic nervous system tone, respiratory depression and analgesia.
Indication For use during the induction and maintenance of general anesthesia.
Pharmacology Remifentanil is an opioid agonist with rapid onset and peak effect and ultra-short duration of action. The opioid activity of remifentanil is antagonized by opioid antagonists such as naloxone. The analgesic effects of remifentanil are rapid in onset and offset. Its effects and side effects are dose dependent and similar to other opioids. Remifentanil in humans has a rapid blood-brain equilibration half-time of 1 ± 1 minutes (mean ± SD) and a rapid onset of action.
Affected Organisms
Humans and other mammals
Biotransformation By hydrolysis of the propanoic acid-methyl ester linkage by nonspecific blood and tissue esterases.
Half Life 1-20 minutes
Protein Binding 70% (bound to plasma proteins)
Elimination Remifentanil is an esterase-metabolized opioid. The carboxylic acid metabolite is essentially inactive (1/4600 as potent as remifentanil in dogs) and is excreted by the kidneys with an elimination half-life of approximately 90 minutes.
Distribution * 350 mL/kg
* 452 ± 144 mL/kg [neonates]
* 223 ± 30.6 mL/kg [adolescents]
Clearance * 40 mL/min/kg [young, healthy adults]
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