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147-24-0 分子结构
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[2-(diphenylmethoxy)ethyl]dimethylamine

ChemBase编号:946
分子式:C17H21NO
平均质量:255.35474
单一同位素质量:255.1623143
SMILES和InChIs

SMILES:
O(C(c1ccccc1)c1ccccc1)CCN(C)C
Canonical SMILES:
CN(CCOC(c1ccccc1)c1ccccc1)C
InChI:
InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
InChIKey:
ZZVUWRFHKOJYTH-UHFFFAOYSA-N

引用这个纪录

CBID:946 http://www.chembase.cn/molecule-946.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-(diphenylmethoxy)ethyl]dimethylamine
IUPAC传统名
diphenhydramine
商标名
Aleryl
Alledryl
Aller-Med
Allerdryl
Allergan B
Allergeval
Allergical
Allergin
Allergina
Allergival
Allermax Caplets
Ambodryl
Amidryl
Antistominum
Antitussive
Antomin
Automin
Bagodryl
Banophen
Banophen Caplets
Baramine
Beldin
Belix
Ben-Allergin
Bena
Benachlor
Benadrin
Benadryl
Benadryl Allergy
Benadryl Preservative Free
Benapon
Benodin
Benodine
Benylan
Benylin
Benzantine
Benzhydramine
Benzhydraminum
Benzhydril
Benzhydroamina
Benzhydryl
Betramin
Compoz
Dabylen
Debendrin
Dermistina
Dermodrin
Desentol
Diabenyl
Diabylen
Dibendrin
Dibenil
Dibondrin
Difedryl
Difenhydramin
Difenidramina
Dihidral
Dimedrol
Dimedryl
Diphantine
Diphen
Diphen Cough
Diphenhist
Diphenhist Captabs
Dormarex 2
Dryistan
Drylistan
Dylamon
Etanautine
Genahist
Histaxin
Hyadrine
Hydramine
Hyrexin
Ibiodral
Medidryl
Mephadryl
Nausen
Nervine Nighttime Sleep-Aid
Novamina
Nytol Quickcaps
Nytol Quickgels
Probedryl
Restamin
Rigidil
Rigidyl
Siladryl
Silphen
Sleep-Eze D
Sleep-Eze D Extra Strength
Sominex
Soverin
Syntedril
Syntodril
Torinal
Twilite Caplets
Unisom Sleepgels Maximum Strength
Vena
Vicks Formula 44
Benadryl, Unisom, Sominex
别名
Diphenhydramine Base
Diphenhydramine Hcl
Diphenhydramine Salicylate
Diphenylhydramine
Diphenhydramine
N-[2-(BENZHYDRYLOXY)ETHYL]-N,N-DIMETHYLAMINE
BENADRYL HYDROCHLORIDE
CAS号
147-24-0
58-73-1
PubChem SID
160964409
46505484
PubChem CID
3100
CHEBI ID
4636
ATC码
D04AA33
R06AA02
D04AA32
CHEMBL
657
Chemspider ID
2989
DrugBank ID
DB01075
IUPHAR配体索引
1224
KEGG ID
D00669
美国药典/FDA物质标识码
8GTS82S83M
维基百科标题
Diphenhydramine
Medline Plus
a682539

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
MP Biomedicals
05213472 external link 加入购物车 请登录

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) 0.52368176  LogD (pH = 7.4) 2.174247 
Log P 3.6519072  摩尔折射率 79.927 cm3
极化性 31.40543 Å3 极化表面积 12.47 Å2
可自由旋转的化学键 里宾斯基五规则 true 
Log P 3.44  LOG S -3.53 
溶解度 7.52e-02 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
3.06 mg/mL at 37 oC [BEILSTEIN] expand 查看数据来源
疏水性(logP)
3.27 [HANSCH,C ET AL. (1995)] expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源
给药途径
Oral, parenteral (IM), parenteral (IV), topical, suppository expand 查看数据来源
生物利用度
40-60% expand 查看数据来源
排泄
94% through the urine, 6% through feces expand 查看数据来源
半衰期
8 hours (children)
9 to 12 hours (adults)
17 hours (elderly)
expand 查看数据来源
代谢
Various cytochrome P450 liver enzymes: CYP2D6 (80%), 3A4 (10%) expand 查看数据来源
蛋白结合率
98-99% expand 查看数据来源
法定药品分级
Over the counter expand 查看数据来源
妊娠期药物分类
A (Australia) expand 查看数据来源
B (US) 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

MP Biomedicals MP Biomedicals DrugBank DrugBank Wikipedia Wikipedia
MP Biomedicals -  05213472 external link
MP Biomedicals Rare Chemical collection
DrugBank -  DB01075 external link
Item Information
Drug Groups approved
Description A histamine H1 antagonist used as an antiemetic, antitussive, for dermatoses and pruritus, for hypersensitivity reactions, as a hypnotic, an antiparkinson, and as an ingredient in common cold preparations. It has some undesired antimuscarinic and sedative effects.
Indication For the treatment of symptoms associated with Vertigo/Meniere's disease, nausea and vomiting, motion sickness and insect bite.
Pharmacology Diphenhydramine is an antihistamine of the ethanolamine class. Ethanolamine antihistamines have significant antimuscarinic activity and produce marked sedation in most patients. In addition to the usual allergic symptoms, the drug also treats irritant cough and nausea, vomiting, and vertigo associated with motion sickness. It also is used commonly to treat drug-induced extrapyramidal symptoms as well as to treat mild cases of Parkinson's disease. Rather than preventing the release of histamine, as do cromolyn and nedocromil, diphenhydramine competes with free histamine for binding at HA-receptor sites. Diphenhydramine competitively antagonizes the effects of histamine on HA-receptors in the GI tract, uterus, large blood vessels, and bronchial muscle. Ethanolamine derivatives have greater anticholinergic activity than do other antihistamines, which probably accounts for the antidyskinetic action of diphenhydramine. This anticholinergic action appears to be due to a central antimuscarinic effect, which also may be responsible for its antiemetic effects, although the exact mechanism is unknown.
Toxicity LD50=500 mg/kg (orally in rats). Considerable overdosage can lead to myocardial infarction (heart attack), serious ventricular dysrhythmias, coma and death.
Affected Organisms
Humans and other mammals
Biotransformation Hepatic and renal
Absorption Quickly absorbed with maximum activity occurring in approximately one hour.
Half Life 1-4 hours
Protein Binding 98 to 99%
Elimination Little, if any, is excreted unchanged in the urine; most appears as the degradation products of metabolic transformation in the liver, which are almost completely excreted within 24 hours.
References
Raphael GD, Angello JT, Wu MM, Druce HM: Efficacy of diphenhydramine vs desloratadine and placebo in patients with moderate-to-severe seasonal allergic rhinitis. Ann Allergy Asthma Immunol. 2006 Apr;96(4):606-14. [Pubmed]
External Links
Wikipedia
RxList
Drugs.com
DrugBank -  DB06975 external link
Drug information: experimental

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • Raphael GD, Angello JT, Wu MM, Druce HM: Efficacy of diphenhydramine vs desloratadine and placebo in patients with moderate-to-severe seasonal allergic rhinitis. Ann Allergy Asthma Immunol. 2006 Apr;96(4):606-14. Pubmed
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专利

专利

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