Bilirubin Dimethyl Ester
[CAS# 19792-68-8]

Identification

• Name: Bilirubin Dimethyl Ester
• Synonyms: Methyl 3-[2-[[3-(3-Methoxy-3-Oxo-Propyl)-4-Methyl-5-[(Z)-(4-Methyl-5-Oxo-3-Vinyl-Pyrrol-2-Ylidene)Methyl]-1H-Pyrrol-2-Yl]Methyl]-4-Methyl-5-[(Z)-(3-Methyl-5-Oxo-4-Vinyl-Pyrrol-2-Ylidene)Methyl]-1H-Pyrrol-3-Yl]Propanoate; 3-[2-[[3-(3-Methoxy-3-Oxopropyl)-4-Methyl-5-[(Z)-(4-Methyl-5-Oxo-3-Vinyl-2-Pyrrolylidene)Methyl]-1H-Pyrrol-2-Yl]Methyl]-4-Methyl-5-[(Z)-(3-Methyl-5-Oxo-4-Vinyl-2-Pyrrolylidene)Methyl]-1H-Pyrrol-3-Yl]Propanoic Acid Methyl Ester; 3-[2-[[3-(3-Keto-3-Methoxy-Propyl)-5-[(Z)-(5-Keto-4-Methyl-3-Vinyl-3-Pyrrolin-2-Ylidene)Methyl]-4-Methyl-1H-Pyrrol-2-Yl]Methyl]-5-[(Z)-(5-Keto-3-Methyl-4-Vinyl-3-Pyrrolin-2-Ylidene)Methyl]-4-Methyl-1H-Pyrrol-3-Yl]Propionic Acid Methyl Ester
• Molecular Formula: C₃₅H₄₀N₄O₆
• Molecular Weight: 612.72
• CAS Registry Number: 19792-68-8
• SMILES: C(CC(OC)=O)C1=C([NH]C(=C1C)/C=C2/C(=C(C=C)C(N2)=O)C)CC3=C(C(=C([NH]3)/C=C4/C(=C(C(N4)=O)C)C=C)C)CCC(OC)=O
• InChI: 1S/C35H40N4O6/c1-9-22-21(6)34(42)39-29(22)16-27-20(5)25(12-14-33(41)45-8)31(37-27)17-30-24(11-13-32(40)44-7)19(4)26(36-30)15-28-18(3)23(10-2)35(43)38-28/h9-10,15-16,36-37H,1-2,11-14,17H2,3-8H3,(H,38,43)(H,39,42)/b28-15-,29-16-
• InChIKey: UWZUXDQSJUVVTL-FLZZTMJYSA-N

Properties

• Density: 1.287g/cm³ (Cal.)
• Boiling point: 850.715°C at 760 mmHg (Cal.)
• Flash point: 468.296°C (Cal.)