您当前所在的位置:首页 > 产品中心 > 产品详细信息
469-21-6 分子结构
点击图片或这里关闭

dimethyl({2-[1-phenyl-1-(pyridin-2-yl)ethoxy]ethyl})amine

ChemBase编号:250
分子式:C17H22N2O
平均质量:270.36938
单一同位素质量:270.17321333
SMILES和InChIs

SMILES:
O(C(c1ccccc1)(c1ncccc1)C)CCN(C)C
Canonical SMILES:
CN(CCOC(c1ccccn1)(c1ccccc1)C)C
InChI:
InChI=1S/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3
InChIKey:
HCFDWZZGGLSKEP-UHFFFAOYSA-N

引用这个纪录

CBID:250 http://www.chembase.cn/molecule-250.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
dimethyl({2-[1-phenyl-1-(pyridin-2-yl)ethoxy]ethyl})amine
IUPAC传统名
doxylamine
商标名
Unisom
别名
Dossilamina [DCIT]
Doxilminio [INN-Spanish]
Doxylaminum [INN-Latin]
Doxylamine
CAS号
469-21-6
PubChem SID
160963713
46506354
PubChem CID
3162
CHEBI ID
51380
ATC码
R06AA09
CHEMBL
1004
Chemspider ID
3050
DrugBank ID
DB00366
KEGG ID
D07878
美国药典/FDA物质标识码
95QB77JKPL
维基百科标题
Doxylamine
Medline Plus
a682537

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) -0.16813163  LogD (pH = 7.4) 1.4848965 
Log P 2.9619422  摩尔折射率 82.2373 cm3
极化性 32.315342 Å3 极化表面积 25.36 Å2
可自由旋转的化学键 里宾斯基五规则 true 
Log P 2.9  LOG S -2.7 
溶解度 5.41e-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
1 g/ml (succinate salt) expand 查看数据来源
疏水性(logP)
2.5 expand 查看数据来源
给药途径
Oral expand 查看数据来源
生物利用度
Oral: 24.7%, Intranasal: 70.8% expand 查看数据来源
排泄
Urine; 60% unchanged doxylamine expand 查看数据来源
半衰期
variable; 6–12 hours expand 查看数据来源
代谢
Hepatic expand 查看数据来源
法定药品分级
OTC expand 查看数据来源
妊娠期药物分类
Briggs' "A" (Compatible) expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank Wikipedia Wikipedia
DrugBank -  DB00366 external link
Item Information
Drug Groups approved
Description Histamine H1 antagonist with pronounced sedative properties. It is used in allergies and as an antitussive, antiemetic, and hypnotic. Doxylamine has also been administered in veterinary applications and was formerly used in parkinsonism. [PubChem]
Indication Used alone as a short-term sleep aid, in combination with other drugs as a night-time cold and allergy relief drug. Also used in combination with Vitamin B6 (pyridoxine) to prevent morning sickness in pregnant women.
Pharmacology Doxylamine is an antihistamine commonly used as a sleep aid. This drug is also used to relieve symptoms of hay fever (allergic rhinitis), hives (rash or itching), and other allergic reactions. Doxylamine is a member of the ethanolamine class of antihistamines and has anti-allergy power far superior to virtually every other antihistamine on the market, with the exception of diphenhydramine (Benadryl). It is also the most powerful over-the-counter sedative available in the United States, and more sedating than many prescription hypnotics. In a study, it was found to be superior to even the barbiturate, phenobarbital for use as a sedative. Doxylamine is also a potent anticholinergic.
Toxicity Signs of overdose include wheezing, tightness in the chest, fever, itching, bad cough, blue skin color, fits, swelling of face, lips, tongue, or throat.
Affected Organisms
Humans and other mammals
Biotransformation Hepatic.
Absorption Readily absorbed via the gastrointestinal tract.
Half Life 10 hours
External Links
Wikipedia
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