您当前所在的位置:首页 > 产品中心 > 产品详细信息
25451-15-4 分子结构
点击图片或这里关闭

3-(carbamoyloxy)-2-phenylpropyl carbamate

ChemBase编号:825
分子式:C11H14N2O4
平均质量:238.23986
单一同位素质量:238.09535694
SMILES和InChIs

SMILES:
O(CC(c1ccccc1)COC(=O)N)C(=O)N
Canonical SMILES:
NC(=O)OCC(c1ccccc1)COC(=O)N
InChI:
InChI=1S/C11H14N2O4/c12-10(14)16-6-9(7-17-11(13)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,14)(H2,13,15)
InChIKey:
WKGXYQFOCVYPAC-UHFFFAOYSA-N

引用这个纪录

CBID:825 http://www.chembase.cn/molecule-825.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
3-(carbamoyloxy)-2-phenylpropyl carbamate
IUPAC传统名
felbatol
felbamate
商标名
Felbamyl
Felbatol
Taloxa
别名
2-Phenyl-1,3-propanedioldicarbamate
Carbamic Acid 2-Phenyltrimethylene Ester
ADD-03055
W-554
Felbamyl
Felbatol
Taloxa
2-Phenyl-1,3-propanediol dicarbamate
Felbamate
Felbamate
3-(carbamoyloxy)-2-phenylpropyl carbamate
CAS号
25451-15-4
EC号
247-001-4
MDL号
MFCD00865296
PubChem SID
160964288
24277968
46506375
PubChem CID
3331
CHEBI ID
4995
ATC码
N03AX10
CHEMBL
1094
Chemspider ID
3214
DrugBank ID
DB00949
KEGG ID
D00536
美国药典/FDA物质标识码
X72RBB02N8
维基百科标题
Felbamate
Medline Plus
a606011

理论计算性质

理论计算性质

JChem ALOGPS 2.1
Acid pKa 14.982562  质子受体
质子供体 LogD (pH = 5.5) 0.67956793 
LogD (pH = 7.4) 0.67956793  Log P 0.67956793 
摩尔折射率 59.5868 cm3 极化性 23.403934 Å3
极化表面积 104.64 Å2 可自由旋转的化学键
里宾斯基五规则 true 
Log P 0.56  LOG S -2.51 
溶解度 7.42e-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
alcohol: soluble expand 查看数据来源
Dimethyl Sulfoxide expand 查看数据来源
Dimethylformamide expand 查看数据来源
Slightly soluble in water expand 查看数据来源
Water expand 查看数据来源
外观
White Powder expand 查看数据来源
熔点
148-150°C expand 查看数据来源
疏水性(logP)
0.3 expand 查看数据来源
0.497 expand 查看数据来源
保存条件
-20°C Freezer expand 查看数据来源
RTECS编号
TZ1070000 expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源
德国WGK号
2 expand 查看数据来源
个人保护装置
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand 查看数据来源
作用靶点
Others expand 查看数据来源
给药途径
Oral expand 查看数据来源
生物利用度
> 90% expand 查看数据来源
半衰期
20-23 hours expand 查看数据来源
代谢
Hepatic expand 查看数据来源
法定药品分级
Unscheduled expand 查看数据来源
妊娠期药物分类
C (USA) expand 查看数据来源
相关基因信息
human ... GRIN2B(2904) expand 查看数据来源
纯度
95% expand 查看数据来源
成盐信息
Free Base expand 查看数据来源
质检报告
下载链接 expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich TRC TRC
DrugBank -  DB00949 external link
Item Information
Drug Groups approved
Description Felbamate is an anticonvulsant drug used in the treatment of epilepsy. It is used to treat partial seizures (with and without generalization) in adults and partial and generalized seizures associated with Lennox-Gastaut syndrome in children. It has a weak inhibitory effect on GABA receptor binding sites.
Indication For use only in those patients who respond inadequately to alternative treatments and whose epilepsy is so severe that a substantial risk of aplastic anemia and/or liver failure is deemed acceptable in light of the benefits conferred by its use.
Pharmacology Felbamate is an antiepileptic indicated as monotherapy or as an adjunct to other anticonvulsants for the treatment of partial seizures resulting from epilepsy. Receptor-binding studies in vitro indicate that felbamate has weak inhibitory effects on GABA-receptor binding, benzodiazepine receptor binding, and is devoid of activity at the MK-801 receptor binding site of the NMDA receptor-ionophore complex. However, felbamate does interact as an antagonist at the strychnine-insensitive glycine recognition site of the NMDA receptor-ionophore complex.
Toxicity LD50=5000 mg/kg (Orally in rats)
Affected Organisms
Humans and other mammals
Biotransformation Hepatic
Absorption >90%
Half Life 20-23 hours
Protein Binding 20-36%
Distribution * 756±82 mL/kg
Clearance * 26 +/- 3 mL/hr/kg [single 1200 mg dose]
* 30 +/- 8 mL/hr/kg [multiple daily doses of 3600 mg]
References
Leppik IE, Dreifuss FE, Pledger GW, Graves NM, Santilli N, Drury I, Tsay JY, Jacobs MP, Bertram E, Cereghino JJ, et al.: Felbamate for partial seizures: results of a controlled clinical trial. Neurology. 1991 Nov;41(11):1785-9. [Pubmed]
External Links
Wikipedia
RxList
Drugs.com
Sigma Aldrich -  F0778 external link
Biochem/physiol Actions
Anticonvulsant agent that is an allosteric antagonist at the NR2B subunit of the NMDA glutamate receptor; also has γ-aminobutyric acid (GABAA) receptor agonist properties.
Toronto Research Chemicals -  F231000 external link
Antiepileptic, structurally similar to meprobamate.

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • Leppik IE, Dreifuss FE, Pledger GW, Graves NM, Santilli N, Drury I, Tsay JY, Jacobs MP, Bertram E, Cereghino JJ, et al.: Felbamate for partial seizures: results of a controlled clinical trial. Neurology. 1991 Nov;41(11):1785-9. Pubmed
  • Swinyard, E.A., et al.: Epilepsia, 27, 27 (1986)
  • Remmel, R.P., et al.: Ther. Drug Monit., 12, 90 (1986)
  • Sofia, R.D., et al.: Epilepsy Res. Suppl., 3, 103 (1986)
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