[(Z)-[1-methyl-3-(pent-4-yn-2-yloxymethyl)imidazol-2-ylidene]methyl]-oxoazanium,chloride

• 常用名: [(Z)-[1-methyl-3-(pent-4-yn-2-yloxymethyl)imidazol-2-ylidene]methyl]-oxoazanium,chloride
• 英文名: [(Z)-[1-methyl-3-(pent-4-yn-2-yloxymethyl)imidazol-2-ylidene]methyl]-oxoazanium,chloride
• CAS号: 117983-27-4
• 分子量: 257.71700
• 密度: N/A
• 沸点: 287.4ºC at 760mmHg
• 分子式: C₁₁H₁₆ClN₃O₂
• 熔点: N/A
• 闪点: 127.6ºC

名称

• 英文名: [(Z)-[1-methyl-3-(pent-4-yn-2-yloxymethyl)imidazol-2-ylidene]methyl]-oxoazanium,chloride

物理化学性质

• 沸点: 287.4ºC at 760mmHg
• 分子式: C₁₁H₁₆ClN₃O₂
• 分子量: 257.71700
• 闪点: 127.6ºC
• 精确质量: 257.09300
• PSA: 48.52000
• LogP: 1.80000
• InChIKey: DUNVBKPFFWLPTC-UHFFFAOYSA-N
• SMILES: C#CCC(C)OCn1cc[n+](C)c1C=NO.[Cl-]
• 蒸汽压: 0.00249mmHg at 25°C

靶点实验

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实验名称：Partition coefficient (logD7.6) 来源：ChEMBL 靶标：N/A External Id：CHEMBL630220

实验名称：Kinetic constant for the transformation of the [inhibited enzyme/oximate] complex to ... 来源：ChEMBL 靶标：Acetylcholinesterase External Id：CHEMBL644934

实验名称：Kinetic constant for formation of the inhibited enzyme/oximate complex in human eryth... 来源：ChEMBL 靶标：Acetylcholinesterase External Id：CHEMBL641015

实验名称：Significant protection against the lethal effects of soman, by administering compound... 来源：ChEMBL 靶标：Mus musculus External Id：CHEMBL739704

实验名称：Number of surviving mice was calculated after the administration of 11.2 mg/kg of atr... 来源：ChEMBL 靶标：Mus musculus External Id：CHEMBL879316

实验名称：Reversible inhibition of acetylcholinesterase (AChE) by 50 % in human erythrocytes 来源：ChEMBL 靶标：Acetylcholinesterase External Id：CHEMBL644118

实验名称：Number of surviving mice was calculated after the administration of 11.2 mg/kg of atr... 来源：ChEMBL 靶标：Mus musculus External Id：CHEMBL739614

实验名称：Effective rate constant for reactivation of AchE in human erythrocytes 来源：ChEMBL 靶标：Acetylcholinesterase External Id：CHEMBL641363

实验名称：Ionization constant (pKa) 来源：ChEMBL 靶标：N/A External Id：CHEMBL632263

实验名称：Bimolecular rate constant for reactivation of AchE in human erythrocytes 来源：ChEMBL 靶标：Acetylcholinesterase External Id：CHEMBL641365

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