2-(dimethylamino)ethyl 4-(butylamino)benzoate hydrochloride

• ChemBase编号: 73238
• 分子式: C15H25ClN2O2
• 平均质量: 300.8242
• 单一同位素质量: 300.16045573
• SMILES: c1c(ccc(c1)C(=O)OCCN(C)C)NCCCC.Cl
• Canonical SMILES: CCCCNc1ccc(cc1)C(=O)OCCN(C)C.Cl
• InChI: InChI=1S/C15H24N2O2.ClH/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3;/h6-9,16H,4-5,10-12H2,1-3H3;1H
• InChIKey: PPWHTZKZQNXVAE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(dimethylamino)ethyl 4-(butylamino)benzoate hydrochloride
• IUPAC传统名: tetracaine hydrochloride
• 别名: 4-(丁氨基)-苯甲酸-2-(二甲氨基)乙酯; 丁卡因 盐酸盐; Pontocaine; Tetracaine hydrochloride; 4-(Butylamino)benzoic acid 2-(dimethylamino)ethyl ester; 4-(Butylamino)benzoic acid 2-(dimethylamino)ethyl ester hydrochloride; TETRACAINE; Amethocaine hydrochloride; Tetracaine hydrochloride; 2-Dimethylaminoethanol 4-n-Butylaminobenzoate Hydrochloride; Amethocaine Monohydrochloride; Anacel; Anethain; Anethaine; Butethanol; Curtacain; Decicain; Decicaine; Dessicain; Dianguang; Dicaine; Dikain; Intercaine; Leocaine; Menonasal; Niphanoid; Pantocain; Pantocaine; Pantocaine Hydrochloride

登记号

• CAS号: 136-47-0
• EC号: 205-248-5
• MDL号: MFCD00038912
• PubChem SID: 24277740; 24900181; 162038158
• PubChem CID: 8695

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -0.029487526
• LogD (pH = 7.4): 1.7360393
• Log P: 2.7920444
• 摩尔折射率: 80.1698 cm^3
• 极化性: 30.304665 Å^3
• 极化表面积: 41.57 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Methanol
• 外观: White Solid
• 熔点: 135-138°C

安全信息

• 保存条件: -20°C; Refrigerator; Room Temperature (15-30°C)
• RTECS编号: DG4900000
• 欧盟危险性物质标志: 有毒(Toxic) (T); 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 2811
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 25-36-43; R:36
• 安全公开号: 26-36/37-45; S:26
• GHS危险品标识: GHS06
• GHS警示词: Danger
• GHS危险声明: H301-H317-H319
• GHS警示性声明: P280-P301 + P310-P305 + P351 + P338
• RID/ADR: UN 2811 6.1/PG 3
• 保存温度: room temp

药理学性质

• 作用靶点: calcium channel

产品相关信息

• 纯度: ≥99%
• 级别: certified reference material; Sigma Reference Standard
• 成盐信息: hydrochloride
• 包装: pkg of 1 g; vial of 250 mg
• 适用性: meets USP testing specifications
• Pharmacopeia Traceability: traceable to PhEur T0500000; traceable to USP 1650006
• Empirical Formula (Hill Notation): C15H24N2O2 · HCl

详细说明

MP Biomedicals - 02152107

Hydrochloride
Crystalline

Selleck Chemicals - S2573

Research Area: Cancer
Biological Activity:
Tetracaine hydrochloride (Pontocaine) is a hydrochloride salt form of tetracaine which is a potent local anaesthetic and a channel function allosteric inhibitor. Tetracaine hydrochloride (Pontocaine) is used to block temporarily the pain "message" that is sent along the nerves that connect the eyes to the brain. Tetracaine hydrochloride (Pontocaine) is mainly used topically in ophthalmology and as an antipruritic, and it has been used in spinal anesthesia. In biomedical research, tetracaine is used to alter the function of calcium release channels (ryanodine receptors) that control the release of calcium from intracellular stores. In addition, tetracaine serves as an allosteric blocker of channel function. At low concentrations, tetracaine gives rise to an initial prevention of spontaneous calcium release events, while at high concentrations, tetracaine blocks release completely. [1]References on Tetracaine HCl (Pontocaine)[1] http://en.wikipedia.org/wiki/Tetracaine, ,

Sigma Aldrich - T7508

Application
眼用局部麻醉药；用于脊髓麻醉
Biochem/physiol Actions
阻断 Ca2+ 从肌浆网的电压敏感性释放。

Sigma Aldrich - PHR1129

Application
眼用局部麻醉药；用于脊髓麻醉
Biochem/physiol Actions
阻断 Ca2+ 从肌浆网的电压敏感性释放。
General description
This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO Guide 34.
Other Notes
Values of analytes vary lot to lot.

Sigma Aldrich - T3937

Application
眼用局部麻醉药；用于脊髓麻醉
Biochem/physiol Actions
阻断 Ca2+ 从肌浆网的电压敏感性释放。

Sigma Aldrich - T7645

Application
眼用局部麻醉药；用于脊髓麻醉
Biochem/physiol Actions
阻断 Ca2+ 从肌浆网的电压敏感性释放。
包装
Supplied in amber screw-cap vials

Toronto Research Chemicals - T291335

A local anesthetic used topically in opthalmology.

参考文献

• http://en.wikipedia.org/wiki/Tetracaine
• Fliri, A., et al.: J. Med. Chem., 52, 8038 (2009)
• Gohil, V., et al.: Nat. Biotechnol., 28, 249 (2009)