粪胆素盐酸盐
[CAS# 34217-90-8]

基本信息

• 产品名称: 粪胆素盐酸盐
• 英文名: Stercobilin Hydrochloride
• 别名: 3-[2-[[3-(2-Carboxyethyl)-5-[(3-Ethyl-4-Methyl-5-Oxopyrrolidin-2-Yl)Methyl]-4-Methylpyrrol-2-Ylidene]Methyl]-5-[(4-Ethyl-3-Methyl-5-Oxopyrrolidin-2-Yl)Methyl]-4-Methyl-1H-Pyrrol-3-Yl]Propanoic Acid; 3-[2-[(E)-[3-(2-Carboxyethyl)-5-[(3-Ethyl-4-Methyl-5-Oxo-Pyrrolidin-2-Yl)Methyl]-4-Methyl-Pyrrol-2-Ylidene]Methyl]-5-[(4-Ethyl-3-Methyl-5-Oxo-Pyrrolidin-2-Yl)Methyl]-4-Methyl-1H-Pyrrol-3-Yl]Propanoic Acid; 3-[2-[[3-(2-Carboxyethyl)-5-[(3-Ethyl-4-Methyl-5-Oxo-Pyrrolidin-2-Yl)Methyl]-4-Methyl-Pyrrol-2-Ylidene]Methyl]-5-[(4-Ethyl-3-Methyl-5-Oxo-Pyrrolidin-2-Yl)Methyl]-4-Methyl-1H-Pyrrol-3-Yl]Propanoic Acid
• 分子式: C₃₃H₄₆N₄O₆
• 分子量: 594.75
• CAS 登录号: 34217-90-8
• EINECS 登录号: 251-887-8
• 分子行输入简码 SMILES: C(C1NC(=O)C(C1C)CC)C2=C(C(=C([NH]2)\C=C/4N=C(CC3NC(=O)C(C3CC)C)C(=C4CCC(O)=O)C)CCC(O)=O)C
• 国际化学标识码 InChI: 1S/C33H46N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h15-16,19-21,26-27,34H,7-14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b29-15+
• 国际化学标识检索码 InChIKey: TYOWQSLRVAUSMI-WKULSOCRSA-N

物理化学性质

• 密度: 1.333g/cm³ （计算值）
• 沸点: 862.452°C at 760 mmHg （计算值）
• 闪点: 475.394°C （计算值）