Mesobilirubin
[CAS# 16568-56-2]

Identification

• Name: Mesobilirubin
• Synonyms: 3-[2-[[3-(2-Carboxyethyl)-5-[(Z)-(4-Ethyl-3-Methyl-5-Oxo-Pyrrol-2-Ylidene)Methyl]-4-Methyl-1H-Pyrrol-2-Yl]Methyl]-5-[(Z)-(3-Ethyl-4-Methyl-5-Oxo-Pyrrol-2-Ylidene)Methyl]-4-Methyl-1H-Pyrrol-3-Yl]Propanoic Acid; 3-[2-[[3-(2-Carboxyethyl)-5-[(Z)-(4-Ethyl-3-Methyl-5-Oxo-2-Pyrrolylidene)Methyl]-4-Methyl-1H-Pyrrol-2-Yl]Methyl]-5-[(Z)-(3-Ethyl-4-Methyl-5-Oxo-2-Pyrrolylidene)Methyl]-4-Methyl-1H-Pyrrol-3-Yl]Propanoic Acid; 3-[2-[[3-(2-Carboxyethyl)-5-[(Z)-(4-Ethyl-5-Keto-3-Methyl-3-Pyrrolin-2-Ylidene)Methyl]-4-Methyl-1H-Pyrrol-2-Yl]Methyl]-5-[(Z)-(3-Ethyl-5-Keto-4-Methyl-3-Pyrrolin-2-Ylidene)Methyl]-4-Methyl-1H-Pyrrol-3-Yl]Propionic Acid
• Molecular Formula: C₃₃H₄₀N₄O₆
• Molecular Weight: 588.70
• CAS Registry Number: 16568-56-2
• SMILES: C(C1=C(C(=C([NH]1)/C=C/2NC(=O)C(=C2CC)C)C)CCC(=O)O)C3=C(C(=C([NH]3)/C=C/4NC(=O)C(=C4C)CC)C)CCC(=O)O
• InChI: 1S/C33H40N4O6/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/h13-14,34-35H,7-12,15H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-
• InChIKey: HVHKMUMXERBUAN-IFADSCNNSA-N

Properties

• Density: 1.283g/cm³ (Cal.)
• Boiling point: 900.945°C at 760 mmHg (Cal.)
• Flash point: 498.674°C (Cal.)