3-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-4,6-dinitrobenzene-1,3-diamine

• 常用名: 3-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-4,6-dinitrobenzene-1,3-diamine
• 英文名: 3-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-4,6-dinitrobenzene-1,3-diamine
• CAS号: 142744-18-1
• 分子量: 409.46000
• 密度: 1.369g/cm3
• 沸点: 585ºC at 760mmHg
• 分子式: C₁₇H₂₃N₅O₅S
• 熔点: N/A
• 闪点: 307.6ºC

名称

• 英文名: 3-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-4,6-dinitrobenzene-1,3-diamine

物理化学性质

• 密度: 1.369g/cm3
• 沸点: 585ºC at 760mmHg
• 分子式: C₁₇H₂₃N₅O₅S
• 分子量: 409.46000
• 闪点: 307.6ºC
• 精确质量: 409.14200
• PSA: 157.38000
• LogP: 4.73700
• InChIKey: GUSIEDDJDIMRDC-UHFFFAOYSA-N
• SMILES: CNc1cc(NCCSCc2ccc(CN(C)C)o2)c([N+](=O)[O-])cc1[N+](=O)[O-]
• 蒸汽压: 1.14E-13mmHg at 25°C
• 折射率: 1.66

靶点实验

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实验名称：Ratio of IC50 (muscarinic acetylcholine receptor M2) to IC50 (muscarinic acetylcholin... 来源：ChEMBL 靶标：N/A External Id：CHEMBL748231

实验名称：In vitro inhibition of human butryl cholinesterase. 来源：ChEMBL 靶标：Cholinesterase External Id：CHEMBL654880

实验名称：Inhibition of [3H]pirenzepine binding to mouse muscarinic acetylcholine receptor M1 f... 来源：ChEMBL 靶标：Muscarinic acetylcholine receptor M1 External Id：CHEMBL746417

实验名称：Ratio of IC50(BChE-I) to IC50(AChE-I) 来源：ChEMBL 靶标：Cholinesterases; ACHE & BCHE External Id：CHEMBL654881

实验名称：Percent change in brain Acetylcholine content in the mouse brain using GC/MS methodol... 来源：ChEMBL 靶标：Mus musculus External Id：CHEMBL745334

实验名称：Concentration required to potentiate the contraction of isolated rat ileum produced b... 来源：ChEMBL 靶标：Rattus norvegicus External Id：CHEMBL846891

实验名称：Approximate lethal dose in mice. 来源：ChEMBL 靶标：Mus musculus External Id：CHEMBL742504

实验名称：In vitro inhibition of human acetylcholinesterase. 来源：ChEMBL 靶标：Acetylcholinesterase External Id：CHEMBL644833

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