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63-98-9 分子结构
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(2-phenylacetyl)urea

ChemBase编号:992
分子式:C9H10N2O2
平均质量:178.1879
单一同位素质量:178.07422757
SMILES和InChIs

SMILES:
O=C(NC(=O)N)Cc1ccccc1
Canonical SMILES:
O=C(Cc1ccccc1)NC(=O)N
InChI:
InChI=1S/C9H10N2O2/c10-9(13)11-8(12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,10,11,12,13)
InChIKey:
XPFRXWCVYUEORT-UHFFFAOYSA-N

引用这个纪录

CBID:992 http://www.chembase.cn/molecule-992.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
(2-phenylacetyl)urea
IUPAC传统名
phenacemide
商标名
Acetylureum
Carbanmide
Cetylureum
Comitiadone
Eferon
Efron
Epheron
Epiclase
Felurea
Fenacemid
Fenacemide
Fenacetamide
Fenacetil-Karbamide
Fenilep
Fenised
Fenostenyl
Fenural
Fenurea
Fenurone
Fenylacetylmocovina
Fenytan
Neophedan
Neophenal
Phacetur
Phenacalum
Phenacereum
Phenacetur
Phenarone
Phenicarb
Phenuron
Phenurone
Phenutal
Phenyrit
Phetylureum
别名
苯乙酰脲
Phenylacetylurea
Phenylacetylurea
Phenylacetyluree
Phenacemide
Carbamide phenylacetate
PA
Phenacetylcarbamide
Phenacetylurea
sym-ACETYLPHENYL UREA
CAS号
63-98-9
EC号
200-570-2
MDL号
MFCD00007948
PubChem SID
160964455
46508400
PubChem CID
4753
ATC码
N03AX07
CHEMBL
918
Chemspider ID
4589
DrugBank ID
DB01121
KEGG ID
D00504
美国药典/FDA物质标识码
PAI7J52V09
维基百科标题
Phenacemide

理论计算性质

理论计算性质

JChem ALOGPS 2.1
Acid pKa 11.746752  质子受体
质子供体 LogD (pH = 5.5) 0.45911402 
LogD (pH = 7.4) 0.45909494  Log P 0.45911425 
摩尔折射率 47.4304 cm3 极化性 18.282602 Å3
极化表面积 72.19 Å2 可自由旋转的化学键
里宾斯基五规则 true 
Log P 0.81  LOG S -2.23 
溶解度 1.06e+00 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
10.2 g/L expand 查看数据来源
疏水性(logP)
0.8 expand 查看数据来源
RTECS编号
YU0875000 expand 查看数据来源
欧盟危险性物质标志
有害性(Harmful) 有害性(Harmful) (Xn) expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
德国WGK号
2 expand 查看数据来源
危险公开号
22 expand 查看数据来源
GHS危险品标识
GHS07 expand 查看数据来源
GHS警示词
Warning expand 查看数据来源
GHS危险声明
H302 expand 查看数据来源
个人保护装置
dust mask type N95 (US), Eyeshields, Gloves expand 查看数据来源
半衰期
22-25 hours. expand 查看数据来源
纯度
98% expand 查看数据来源
质检报告
下载链接 expand 查看数据来源
Empirical Formula (Hill Notation)
C9H10N2O2 expand 查看数据来源

详细说明

详细说明

MP Biomedicals MP Biomedicals DrugBank DrugBank Wikipedia Wikipedia
MP Biomedicals -  05206423 external link
MP Biomedicals Rare Chemical collection
DrugBank -  DB01121 external link
Item Information
Drug Groups approved
Description Phenacemide is used to control certain seizures in the treatment of epilepsy. This medicine acts on the central nervous system (CNS) to reduce the number and severity of seizures.
Indication Used to control certain seizures in the treatment of epilepsy.
Pharmacology Phenacemide is a ureal anticonvulsant indicated for control of severe epilepsy, particularly mixed forms of complex partial (psychomotor or temporal lobe) seizures, refractory to other anticonvulsants. Phenacemide elevates the threshold for minimal electroshock convulsions and abolishes the tonic phase of maximal electroshock seizures. It also prevents or modifies seizures induced by pentylenetetrazol or other convulsants.
Toxicity Oral, mouse: LD50 = 987 mg/kg; Oral, rabbit: LD50 = 2500 mg/kg; Oral, rat: LD50 = 1600 mg/kg
Affected Organisms
Humans and other mammals
Biotransformation Metabolized in the liver by hepatic microsomal enzymes, where it is inactivated by p-hydroxylation.
Absorption Almost completely absorbed.
Half Life 22-25 hours.
References
Coker SB: The use of phenacemide for intractable partial complex epilepsy in children. Pediatr Neurol. 1986 Jul-Aug;2(4):230-2. [Pubmed]
Coker SB, Holmes EW, Egel RT: Phenacemide therapy of complex partial epilepsy in children: determination of plasma drug concentrations. Neurology. 1987 Dec;37(12):1861-6. [Pubmed]
External Links
Wikipedia

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • Coker SB: The use of phenacemide for intractable partial complex epilepsy in children. Pediatr Neurol. 1986 Jul-Aug;2(4):230-2. Pubmed
  • Coker SB, Holmes EW, Egel RT: Phenacemide therapy of complex partial epilepsy in children: determination of plasma drug concentrations. Neurology. 1987 Dec;37(12):1861-6. Pubmed
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专利

专利

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