N-ethyl-3-hydroxy-N,N-dimethylanilinium chloride

• ChemBase编号: 105434
• 分子式: C10H16ClNO
• 平均质量: 201.69314
• 单一同位素质量: 201.09204182
• SMILES: [Cl-].CC[N+](C)(C)c1cccc(O)c1
• Canonical SMILES: CC[N+](c1cccc(c1)O)(C)C.[Cl-]
• InChI: InChI=1S/C10H15NO.ClH/c1-4-11(2,3)9-6-5-7-10(12)8-9;/h5-8H,4H2,1-3H3;1H
• InChIKey: BXKDSDJJOVIHMX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-ethyl-3-hydroxy-N,N-dimethylanilinium chloride
• IUPAC传统名: edrophonium chloride; tensilon chloride
• 别名: N-Ethyl-3-hydroxy-N,N-dimethyl-benzenaminium Chloride; Antirex; Enlon; Reversol; Tensilon; Tensilon Chloride; Ethyl-[m-Hydroxy phenyl]-dimethyl ammonium chloride; EDROPHONIUM CHLORIDE; Ethyl(m-hydroxyphenyl)dimethylammonium chloride; Edrophonium chloride; N-Ethyl-3-hydroxy-N,N-dimethylbenzenaminium chloride

登记号

• CAS号: 116-38-1
• EC号: 204-138-4
• MDL号: MFCD00055064
• PubChem SID: 162092565; 24278414
• PubChem CID: 8307

理论计算性质

• Acid pKa: 8.5937195
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -1.8696398
• LogD (pH = 7.4): -0.9596521
• Log P: -1.9138073
• 摩尔折射率: 62.4088 cm^3
• 极化性: 19.740566 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 162°C

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: BQ5870000
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

药理学性质

• 相关基因信息: human ... ACHE(43)

产品相关信息

• 纯度: 95+%; 97%

详细说明

MP Biomedicals - 02190200

(Ethyl-[m-Hydroxy phenyl]-dimethyl ammonium chloride)

Sigma Aldrich - E3256

Biochem/physiol Actions
Acetycholinesterase inhibitor

Toronto Research Chemicals - E336000

A reversible Acetylcholinesterase inhibitor.

参考文献

• Lyon, R., et al.: J. Pharm. Sci., 95, 1549 (2006)
• Fliri, A., et al.: J. Med. Chem., 52, 8038 (2006)
• Gohil, V., et al.: Nat. Biotechnol., 28, 249 (2006)