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486-12-4 分子结构
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2-[(1E)-1-(4-methylphenyl)-3-(pyrrolidin-1-yl)prop-1-en-1-yl]pyridine

ChemBase编号:310
分子式:C19H22N2
平均质量:278.39138
单一同位素质量:278.17829871
SMILES和InChIs

SMILES:
N1(CCCC1)C/C=C(\c1ccc(cc1)C)/c1ncccc1
Canonical SMILES:
Cc1ccc(cc1)/C(=C\CN1CCCC1)/c1ccccn1
InChI:
InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3/b18-11+
InChIKey:
CBEQULMOCCWAQT-WOJGMQOQSA-N

引用这个纪录

CBID:310 http://www.chembase.cn/molecule-310.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-[(1E)-1-(4-methylphenyl)-3-(pyrrolidin-1-yl)prop-1-en-1-yl]pyridine
IUPAC传统名
triprolidine
商标名
Actidil
Myidyl
Triprolidine HCL
Triprolidine Hydrochloride
Venen (TN)
别名
Triprolidine
CAS号
486-12-4
PubChem SID
160963773
46505403
PubChem CID
5282443

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 DB00427 external link
PubChem 5282443 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) 1.0643152  LogD (pH = 7.4) 2.7876499 
Log P 4.0451536  摩尔折射率 98.5253 cm3
极化性 34.387333 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 4.14  LOG S -3.72 
溶解度 5.37e-02 g/l 

分子性质

分子性质

理化性质 生物活性(PubChem)
溶解度
74.9 mg/L expand 查看数据来源
疏水性(logP)
4 expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank
DrugBank -  DB00427 external link
Item Information
Drug Groups approved
Description First generation histamine H1 antagonist used in allergic rhinitis; asthma; and urticaria. It is a component of cough and cold medicines. It may cause drowsiness. [PubChem]
Indication For the symptomatic relief of seasonal or perennial allergic rhinitis or nonallergic rhinitis; allergic conjunctivitis; and mild, uncomplicated allergic skin manifestations of urticaria and angioedema. Also used in combination with other agents for the symptomatic relief of symptoms associated with the common cold.
Pharmacology In allergic reactions an allergen interacts with and cross-links surface IgE antibodies on mast cells and basophils. Once the mast cell-antibody-antigen complex is formed, a complex series of events occurs that eventually leads to cell-degranulation and the release of histamine (and other chemical mediators) from the mast cell or basophil. Once released, histamine can react with local or widespread tissues through histamine receptors. Histamine, acting on H1-receptors, produces pruritis, vasodilatation, hypotension, flushing, headache, tachycardia, and bronchoconstriction. Histamine also increases vascular permeability and potentiates pain. Triprolidine, is a histamine H1 antagonist that competes with histamine for the normal H1-receptor sites on effector cells of the gastrointestinal tract, blood vessels and respiratory tract. It provides effective, temporary relief of sneezing, watery and itchy eyes, and runny nose due to hay fever and other upper respiratory allergies. Triprolidine has anticholinergic and sedative effects.
Toxicity Symptoms of overdose include drowsiness, weakness, inco-ordination, difficulty with micturition, respiratory depression, hypotension, agitation, irritability, convulsions, hypertension, palpitation and tachycardia.
Affected Organisms
Humans and other mammals
Absorption Rapidly absorbed in the intestinal tract.
Half Life 4 to 6 hours.
References
Mann KV, Crowe JP, Tietze KJ: Nonsedating histamine H1-receptor antagonists. Clin Pharm. 1989 May;8(5):331-44. [Pubmed]
Simons FE: H1-receptor antagonists. Comparative tolerability and safety. Drug Saf. 1994 May;10(5):350-80. [Pubmed]
Paton DM, Webster DR: Clinical pharmacokinetics of H1-receptor antagonists (the antihistamines). Clin Pharmacokinet. 1985 Nov-Dec;10(6):477-97. [Pubmed]
Telekes A, Holland RL, Withington DA, Peck AW: Effects of triprolidine and dipipanone in the cold induced pain test, and the central nervous system of healthy volunteers. Br J Clin Pharmacol. 1987 Jul;24(1):43-50. [Pubmed]
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
  • Mann KV, Crowe JP, Tietze KJ: Nonsedating histamine H1-receptor antagonists. Clin Pharm. 1989 May;8(5):331-44. Pubmed
  • Simons FE: H1-receptor antagonists. Comparative tolerability and safety. Drug Saf. 1994 May;10(5):350-80. Pubmed
  • Paton DM, Webster DR: Clinical pharmacokinetics of H1-receptor antagonists (the antihistamines). Clin Pharmacokinet. 1985 Nov-Dec;10(6):477-97. Pubmed
  • Telekes A, Holland RL, Withington DA, Peck AW: Effects of triprolidine and dipipanone in the cold induced pain test, and the central nervous system of healthy volunteers. Br J Clin Pharmacol. 1987 Jul;24(1):43-50. Pubmed
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专利

专利

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