2-[(1E)-1-(4-methylphenyl)-3-(pyrrolidin-1-yl)prop-1-en-1-yl]pyridine hydrochloride

• ChemBase编号: 131678
• 分子式: C19H23ClN2
• 平均质量: 314.85232
• 单一同位素质量: 314.15497643
• SMILES: Cc1ccc(cc1)/C(=C\CN1CCCC1)/c1ccccn1.Cl
• Canonical SMILES: Cc1ccc(cc1)/C(=C\CN1CCCC1)/c1ccccn1.Cl
• InChI: InChI=1S/C19H22N2.ClH/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;1H/b18-11+
• InChIKey: WYUYEJNGHIOFOC-NWBUNABESA-N

名称和登记号

名称

• IUPAC标准名: 2-[(1E)-1-(4-methylphenyl)-3-(pyrrolidin-1-yl)prop-1-en-1-yl]pyridine hydrochloride
• IUPAC传统名: triprolidine hydrochloride
• 别名: (E)-2-[3-(1-Pyrrolidinyl)-1-p-tolylpropenyl]pyridine hydrochloride; trans-2-[3-(1-Pyrrolidinyl)-1-p-tolylpropenyl]pyridine hydrochloride; Triprolidine hydrochloride; 2-[(1E)-1-(4-Methylphenyl)-3-(1-pyrrolidinyl)-1-propen-1-yl]pyridine Hydrochloride; 295C51; Actidil; Actidilat; Actidilon; Pro-Actidil; Pro-Entra; Venen; trans-1-(4-Methylphenyl)-1-(2-pyridyl)-3-pyrrolidinoprop-1-ene Hydrochloride; trans-2-[3-(1-Pyrrolidinyl)-1-(p-tolyl)propenyl]pyridine Hydrochloride; Triprolidine Hydrochloride

登记号

• CAS号: 550-70-9; 6138-79-0
• MDL号: MFCD00039044
• PubChem SID: 24277808; 162225955
• PubChem CID: 5702129

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.0643152
• LogD (pH = 7.4): 2.7876499
• Log P: 4.0451536
• 摩尔折射率: 98.5253 cm^3
• 极化性: 34.387333 Å^3
• 极化表面积: 16.13 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

安全信息

• RTECS编号: UT7658000
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22-36/37/38
• 安全公开号: 26-36
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: 2-8°C

药理学性质

• 相关基因信息: human ... HRH1(3269)

产品相关信息

• 纯度: ≥99%
• 级别: Sigma Reference Standard
• 包装: vial of 500 mg

详细说明

Sigma Aldrich - T6764

Biochem/physiol Actions
H1 histamine receptor antagonist.

Sigma Aldrich - T1427

Biochem/physiol Actions
H1 histamine receptor antagonist.
包装
Supplied in amber screw-cap vials

Toronto Research Chemicals - T814000

Triprolidine is an antihistaminic agent with anticholinergic properties. Triprolidine is used to treat and prevent symptoms associated with allergies. Triprolidine is also used in combination with cold medicine to provide relief for flu-like symptoms.

参考文献

• Bye, C. et al.: Br. J. Clin. Pharmacol., 1, 342 (1974)
• Fantozzi, R. et al.: Br. J. Pharmacol., 53, 569 (1974)