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71195-58-9 分子结构
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N-{1-[2-(4-ethyl-5-oxo-4,5-dihydro-1H-1,2,3,4-tetrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl}-N-phenylpropanamide

ChemBase编号:681
分子式:C21H32N6O3
平均质量:416.51718
单一同位素质量:416.25358891
SMILES和InChIs

SMILES:
O(CC1(N(c2ccccc2)C(=O)CC)CCN(CC1)CCn1nnn(c1=O)CC)C
Canonical SMILES:
COCC1(CCN(CC1)CCn1nnn(c1=O)CC)N(c1ccccc1)C(=O)CC
InChI:
InChI=1S/C21H32N6O3/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-30-3)11-13-24(14-12-21)15-16-26-20(29)25(5-2)22-23-26/h6-10H,4-5,11-17H2,1-3H3
InChIKey:
IDBPHNDTYPBSNI-UHFFFAOYSA-N

引用这个纪录

CBID:681 http://www.chembase.cn/molecule-681.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
N-{1-[2-(4-ethyl-5-oxo-4,5-dihydro-1H-1,2,3,4-tetrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl}-N-phenylpropanamide
IUPAC传统名
alfentanil
商标名
Alfenta
别名
Alfentanilum [INN-Latin]
Alfentanyl
Alfentanil
CAS号
71195-58-9
PubChem SID
160964144
46505618
PubChem CID
51263
CHEBI ID
2569
ATC码
N01AH02
CHEMBL
634
Chemspider ID
46451
DrugBank ID
DB00802
KEGG ID
D07122
美国药典/FDA物质标识码
1N74HM2BS7
维基百科标题
Alfentanil
Medline Plus
a601130

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
质子受体 质子供体
LogD (pH = 5.5) 0.8123757  LogD (pH = 7.4) 2.4512272 
Log P 2.8073738  摩尔折射率 118.592 cm3
极化性 43.97878 Å3 极化表面积 81.05 Å2
可自由旋转的化学键 里宾斯基五规则 true 
Log P 2.2  LOG S -3.22 
溶解度 2.52e-01 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
34.6 mg/L expand 查看数据来源
熔点
140.8°C (285.44°F) expand 查看数据来源
疏水性(logP)
0.2 expand 查看数据来源
给药途径
Intravenous expand 查看数据来源
生物利用度
100% expand 查看数据来源
半衰期
90–111 minutes expand 查看数据来源
代谢
Hepatic expand 查看数据来源
蛋白结合率
92% expand 查看数据来源
法定药品分级
Class A (UK) expand 查看数据来源
Schedule II (US) expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank Wikipedia Wikipedia
DrugBank -  DB00802 external link
Item Information
Drug Groups illicit; approved
Description A short-acting opioid anesthetic and analgesic derivative of fentanyl. It produces an early peak analgesic effect and fast recovery of consciousness. Alfentanil is effective as an anesthetic during surgery, for supplementation of analgesia during surgical procedures, and as an analgesic for critically ill patients. [PubChem]
Indication For the management of postoperative pain and the maintenance of general anesthesia.
Pharmacology Alfentanil is a synthetic opioid analgesic. Alfentanil interacts predominately with the opioid mu-receptor. These mu-binding sites are discretely distributed in the human brain, spinal cord, and other tissues. In clinical settings, alfentanil exerts its principal pharmacologic effects on the central nervous system. Its primary actions of therapeutic value are analgesia and sedation. Alfentanil may increase the patient's tolerance for pain and decrease the perception of suffering, although the presence of the pain itself may still be recognized. In addition to analgesia, alterations in mood, euphoria and dysphoria, and drowsiness commonly occur. Alfentanil depresses the respiratory centers, depresses the cough reflex, and constricts the pupils.
Toxicity Symptoms of overexposure include characteristic rigidity of the skeletal muscles, cardiac and respiratory depression, and narrowing of the pupils.
Affected Organisms
Humans and other mammals
Biotransformation The liver is the major site of biotransformation.
Absorption For intravenous injection or infusion only.
Half Life 90-111 minutes
Protein Binding 92%
Elimination Only 1.0% of the dose is excreted as unchanged drug; urinary excretion is the major route of elimination of metabolites.
Distribution * 0.4 to 1 L/kg
Clearance * 5 mL/kg/min
External Links
Wikipedia
RxList

参考文献

参考文献

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专利

专利

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