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86-21-5 分子结构
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dimethyl[3-phenyl-3-(pyridin-2-yl)propyl]amine

ChemBase编号:1396
分子式:C16H20N2
平均质量:240.3434
单一同位素质量:240.16264865
SMILES和InChIs

SMILES:
N(CCC(c1ccccc1)c1ncccc1)(C)C
Canonical SMILES:
CN(CCC(c1ccccn1)c1ccccc1)C
InChI:
InChI=1S/C16H20N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3
InChIKey:
IJHNSHDBIRRJRN-UHFFFAOYSA-N

引用这个纪录

CBID:1396 http://www.chembase.cn/molecule-1396.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
dimethyl[3-phenyl-3-(pyridin-2-yl)propyl]amine
IUPAC传统名
pheniramine
商标名
AVIL
Inhiston
Metron
Pyriton
Trimeton
Tripoton
别名
2-(alpha-(2-Dimethylaminoethyl)benzyl)pyridine
2-(3-Dimethylamino-1-phenylpropyl)pyridine
1-Phenyl-1-(2-pyridyl)-3-dimethylaminopropane
2-[.alpha.-(2-Dimethylaminoethyl)benzyl]pyridine
2-[.alpha.-[2-(Dimethylamino)ethyl]benzyl]pyridine
Dimethyl(3-phenyl-3-(2-pyridyl)propyl)amine
Feniramina [inn-spanish]
Feniramine
Pheniraminum [inn-latin]
Propheniramine
Prophenpyridamine
Pheniramine
CAS号
86-21-5
PubChem SID
46505932
160964856
PubChem CID
4761

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
DrugBank DB01620 external link
PubChem 4761 external link
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) -0.4020406  LogD (pH = 7.4) 0.90866387 
Log P 2.9809062  摩尔折射率 76.0455 cm3
极化性 29.749453 Å3 极化表面积 16.13 Å2
可自由旋转的化学键 里宾斯基五规则 true 
Log P 2.85  LOG S -2.8 
溶解度 3.77e-01 g/l 

分子性质

分子性质

生物活性(PubChem)

详细说明

详细说明

DrugBank DrugBank
DrugBank -  DB01620 external link
Item Information
Drug Groups approved
Description One of the histamine H1 antagonists with little sedative action. It is used in treatment of hay fever, rhinitis, allergic dermatoses, and pruritus. [PubChem]
Indication Pheniramine is an antihistamine used to treat allergic conditions such as hay fever or urticaria.
Pharmacology Pheniramine is an antihistamine used to treat allergic conditions such as hay fever or urticaria. It is generally sold in combination with other medications, rather than as a stand-alone drug. Allergies are caused by an excessive type 1 hypersensitivity response of the body to allergens, mediated by inappropriate histamine signalling. By inhibiting the binding of histamine, antihistamines decrease the normal histamine response from cells, consequently decreasing allergic symptoms.
Affected Organisms
Humans and other mammals
Biotransformation Hepatic hydroxylation, demethylation and glucuronidation.
External Links
Wikipedia

参考文献

参考文献

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专利

专利

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