2-[[4-丁基-2-甲基-6-氧代-5-[[4-[2-(2H-四唑-5-基)苯基]苯基]甲基]嘧啶-1-基]甲基]噻吩-3-羧酸甲酯
[CAS# 148564-47-0]

基本信息

• 产品名称: 2-[[4-丁基-2-甲基-6-氧代-5-[[4-[2-(2H-四唑-5-基)苯基]苯基]甲基]嘧啶-1-基]甲基]噻吩-3-羧酸甲酯
• 英文名: Methyl 2-[[4-Butyl-2-Methyl-6-Oxo-5-[[4-[2-(2H-Tetrazol-5-Yl)Phenyl]Phenyl]Methyl]Pyrimidin-1-Yl]Methyl]Thiophene-3-Carboxylate
• 别名: 2-[[4-Butyl-2-Methyl-6-Oxo-5-[[4-[2-(2H-Tetrazol-5-Yl)Phenyl]Phenyl]Methyl]-1-Pyrimidinyl]Methyl]-3-Thiophenecarboxylic Acid Methyl Ester; 2-[[4-Butyl-6-Keto-2-Methyl-5-[4-[2-(2H-Tetrazol-5-Yl)Phenyl]Benzyl]Pyrimidin-1-Yl]Methyl]Thiophene-3-Carboxylic Acid Methyl Ester; Methyl 2-[[4-Butyl-2-Methyl-6-Oxo-5-[[4-[2-(2H-1,2,3,4-Tetrazol-5-Yl)Phenyl]Phenyl]Methyl]Pyrimidin-1-Yl]Methyl]Thiophene-3-Carboxylate
• 分子式: C₃₀H₃₀N₆O₃S
• 分子量: 554.67
• CAS 登录号: 148564-47-0
• 分子行输入简码 SMILES: C3=C(CC1=C(N=C(N(C1=O)CC2=C(C=CS2)C(OC)=O)C)CCCC)C=CC(=C3)C4=CC=CC=C4C5=N[NH]N=N5
• 国际化学标识码 InChI: 1S/C30H30N6O3S/c1-4-5-10-26-25(29(37)36(19(2)31-26)18-27-24(15-16-40-27)30(38)39-3)17-20-11-13-21(14-12-20)22-8-6-7-9-23(22)28-32-34-35-33-28/h6-9,11-16H,4-5,10,17-18H2,1-3H3,(H,32,33,34,35)
• 国际化学标识检索码 InChIKey: QVFVAKQHELFATN-UHFFFAOYSA-N

物理化学性质

• 密度: 1.322g/cm³ （计算值）
• 沸点: 765.302°C at 760 mmHg （计算值）
• 闪点: 416.64°C （计算值）

参考文献

• (1): Nichole P. H. Tan, Michelle K. TaylorCurrent address: Division of Chemistry, School of Science and Technology, The University of New England, Armidale, NSW, 2351, Australia., Steven E. Bottle, Christine E. Wright, James Ziogas, Jonathan M. White, Carl H. Schiesser and Nitya V. Jani. Novel paramagnetic AT1 receptor antagonists, Chem. Commun., 2011, 47, 12083.